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Robert C. Glen - Publications

Affiliations: 
University of Stirling, Stirling, Scotland, United Kingdom 
 University of Cambridge, Cambridge, England, United Kingdom 
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Year Citation  Score
2021 Kalash L, Winfield I, Safitri D, Bermudez M, Carvalho S, Glen R, Ladds G, Bender A. Structure-based identification of dual ligands at the AR and PDE10A with anti-proliferative effects in lung cancer cell-lines. Journal of Cheminformatics. 13: 17. PMID 33658076 DOI: 10.1186/s13321-021-00492-5  0.446
2018 Kalash L, Cresser-Brown J, Habchi J, Morgan C, Miller DJ, Glen RC, Allemann RK, Bender A. Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space. European Journal of Medicinal Chemistry. 157: 1264-1275. PMID 30195237 DOI: 10.1016/J.Ejmech.2018.08.049  0.506
2017 Kalash L, Val C, Azuaje J, Loza MI, Svensson F, Zoufir A, Mervin L, Ladds G, Brea J, Glen R, Sotelo E, Bender A. Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases. Journal of Cheminformatics. 9: 67. PMID 29290010 DOI: 10.1186/S13321-017-0249-4  0.525
2016 Allen CHG, Koutsoukas A, Cortés-Ciriano I, Murrell DS, Malliavin TE, Glen RC, Bender A. Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data. Toxicology Research. 5: 883-894. PMID 30090397 DOI: 10.1039/C5Tx00406C  0.552
2016 Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, ... ... Glen R, et al. 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. Journal of Cheminformatics. 8: 18. PMID 29270804 DOI: 10.1186/S13321-016-0119-5  0.714
2016 Glen RC, Galloway WR, Spring DR, Liwiki G. Multiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCR. Molecular Informatics. 35: 599-605. PMID 27870241 DOI: 10.1002/Minf.201600056  0.347
2016 Ain QU, Owen RM, Omoto K, Torella R, Bulusu KC, Pryde DC, Glen RC, Fuchs JE, Bender A. ANALYSIS OF DIFFERENTIAL EFFICACY AND AFFINITY OF GABAA (α1/α2) SELECTIVE MODULATORS. Molecular Pharmaceutics. PMID 27704838 DOI: 10.1021/Acs.Molpharmaceut.6B00813  0.74
2015 Mussa HY, Mitchell JB, Glen RC. A note on utilising binary features as ligand descriptors. Journal of Cheminformatics. 7: 58. PMID 26628925 DOI: 10.1186/S13321-015-0105-3  0.307
2015 Fuchs JE, Bender A, Glen RC. Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge. Molecular Informatics. 34: 626-633. PMID 26435758 DOI: 10.1002/Minf.201400166  0.471
2015 Murrell DS, Cortes-Ciriano I, van Westen GJ, Stott IP, Bender A, Malliavin TE, Glen RC. Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules. Journal of Cheminformatics. 7: 45. PMID 26322135 DOI: 10.1186/S13321-015-0086-2  0.743
2015 Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC. Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. Journal of Cheminformatics. 7: 31. PMID 26106450 DOI: 10.1186/S13321-015-0083-5  0.509
2015 Mussa HY, Marcus D, Mitchell JB, Glen RC. Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more. Journal of Cheminformatics. 7: 27. PMID 26075027 DOI: 10.1186/S13321-015-0075-5  0.315
2015 Afzal AM, Mussa HY, Turner RE, Bender A, Glen RC. A multi-label approach to target prediction taking ligand promiscuity into account. Journal of Cheminformatics. 7: 24. PMID 26064191 DOI: 10.1186/S13321-015-0071-9  0.533
2014 Liggi S, Drakakis G, Koutsoukas A, Cortes-Ciriano I, Martínez-Alonso P, Malliavin TE, Velazquez-Campoy A, Brewerton SC, Bodkin MJ, Evans DA, Glen RC, Carrodeguas JA, Bender A. Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts. Future Medicinal Chemistry. 6: 2029-56. PMID 25531967 DOI: 10.4155/Fmc.14.137  0.504
2014 Tyzack JD, Mussa HY, Williamson MJ, Kirchmair J, Glen RC. Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers. Journal of Cheminformatics. 6: 29. PMID 24959208 DOI: 10.1186/1758-2946-6-29  0.35
2014 Koutsoukas A, Paricharak S, Galloway WR, Spring DR, Ijzerman AP, Glen RC, Marcus D, Bender A. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. Journal of Chemical Information and Modeling. 54: 230-42. PMID 24289493 DOI: 10.1021/Ci400469U  0.555
2013 Kirchmair J, Williamson MJ, Afzal AM, Tyzack JD, Choy AP, Howlett A, Rydberg P, Glen RC. FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes. Journal of Chemical Information and Modeling. 53: 2896-907. PMID 24219364 DOI: 10.1021/Ci400503S  0.319
2013 Fauzi FM, Koutsoukas A, Lowe R, Joshi K, Fan TP, Glen RC, Bender A. Linking Ayurveda and Western medicine by integrative analysis. Journal of Ayurveda and Integrative Medicine. 4: 117-9. PMID 23930045 DOI: 10.4103/0975-9476.113882  0.541
2013 Koutsoukas A, Lowe R, Kalantarmotamedi Y, Mussa HY, Klaffke W, Mitchell JB, Glen RC, Bender A. In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window. Journal of Chemical Information and Modeling. 53: 1957-66. PMID 23829430 DOI: 10.1021/Ci300435J  0.556
2013 Tyzack JD, Williamson MJ, Torella R, Glen RC. Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis. Journal of Chemical Information and Modeling. 53: 1294-305. PMID 23701380 DOI: 10.1021/Ci400058S  0.379
2013 Nguyen HP, Koutsoukas A, Mohd Fauzi F, Drakakis G, Maciejewski M, Glen RC, Bender A. Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space. Chemical Biology & Drug Design. 82: 252-66. PMID 23647865 DOI: 10.1111/Cbdd.12155  0.56
2013 Mohd Fauzi F, Koutsoukas A, Lowe R, Joshi K, Fan TP, Glen RC, Bender A. Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines. Journal of Chemical Information and Modeling. 53: 661-73. PMID 23351136 DOI: 10.1021/Ci3005513  0.543
2013 Kirchmair J, Howlett A, Peironcely JE, Murrell DS, Williamson MJ, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC. How do metabolites differ from their parent molecules and how are they excreted? Journal of Chemical Information and Modeling. 53: 354-67. PMID 23351040 DOI: 10.1021/Ci300487Z  0.33
2013 Koutsoukas A, Torella R, Drakakis G, Bender A, Glen RC. Relating GPCRs pharmacological space based on ligands chemical similarities Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-S1-P26  0.518
2013 Liggi S, Koutsoukas A, Motamedi YK, Glen RC, Bender A. Annotating targets with pathways: extending approaches to mode of action analysis Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-S1-P15  0.526
2013 Kirchmair J, Howlett A, Peironcely J, Murrell DS, Williamson M, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC. Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-S1-O12  0.323
2013 Cortes-Ciriano I, Koutsoukas A, Abian O, Glen RC, Velazquez-Campoy A, Bender A. Experimental validation of in silico target predictions on synergistic protein targets Medchemcomm. 4: 278-288. DOI: 10.1039/C2Md20286G  0.548
2012 Wang Z, Mussa HY, Lowe R, Glen RC, Yan A. Probability Based hERG Blocker Classifiers. Molecular Informatics. 31: 679-85. PMID 27477818 DOI: 10.1002/Minf.201200011  0.354
2012 Townsend JA, Glen RC, Mussa HY. Note on naive Bayes based on binary descriptors in cheminformatics. Journal of Chemical Information and Modeling. 52: 2494-500. PMID 22900941 DOI: 10.1021/Ci200303M  0.362
2012 Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A, Glen RC. Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms. Journal of Chemical Information and Modeling. 52: 617-48. PMID 22339582 DOI: 10.1021/Ci200542M  0.517
2012 Gleeson MP, Modi S, Bender A, Robinson RL, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RC. The challenges involved in modeling toxicity data in silico: a review. Current Pharmaceutical Design. 18: 1266-91. PMID 22316153 DOI: 10.2174/138920012799362819  0.535
2012 Lowe R, Mussa HY, Nigsch F, Glen RC, Mitchell JB. Predicting the mechanism of phospholipidosis. Journal of Cheminformatics. 4: 2. PMID 22281160 DOI: 10.1186/1758-2946-4-2  0.351
2012 Tyzack JD, Mussa HY, Glen RC. Probabilistic classifier: generated using randomised sub-sampling of the feature space Journal of Cheminformatics. 4. DOI: 10.1186/1758-2946-4-S1-P40  0.338
2012 Marchese Robinson RL, Glen RC, Mitchell JB. Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets Journal of Cheminformatics. 4. DOI: 10.1186/1758-2946-4-S1-O6  0.333
2012 Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, et al. Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group Nature Reviews Drug Discovery. 11: 730. DOI: 10.1038/Nrd3503-C2  0.503
2011 Marchese Robinson RL, Glen RC, Mitchell JB. Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results. Molecular Informatics. 30: 443-58. PMID 27467090 DOI: 10.1002/Minf.201000159  0.325
2011 Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, et al. Minimum information about a bioactive entity (MIABE). Nature Reviews. Drug Discovery. 10: 661-9. PMID 21878981 DOI: 10.1038/Nrd3503  0.581
2011 Lowe R, Mussa HY, Mitchell JB, Glen RC. Classifying molecules using a sparse probabilistic kernel binary classifier. Journal of Chemical Information and Modeling. 51: 1539-44. PMID 21696153 DOI: 10.1021/Ci200128W  0.313
2011 Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S, Young MP, Jenkins JL, Glick M, Glen RC, Bender A. From in silico target prediction to multi-target drug design: current databases, methods and applications. Journal of Proteomics. 74: 2554-74. PMID 21621023 DOI: 10.1016/J.Jprot.2011.05.011  0.539
2011 Wang Z, Chen Y, Liang H, Bender A, Glen RC, Yan A. P-glycoprotein substrate models using support vector machines based on a comprehensive data set. Journal of Chemical Information and Modeling. 51: 1447-56. PMID 21604677 DOI: 10.1021/Ci2001583  0.514
2011 Glen RC. Connecting the virtual world of computers to the real world of medicinal chemistry. Future Medicinal Chemistry. 3: 399-403. PMID 21452976 DOI: 10.4155/Fmc.11.16  0.315
2011 Lowe DM, Corbett PT, Murray-Rust P, Glen RC. Chemical name to structure: OPSIN, an open source solution. Journal of Chemical Information and Modeling. 51: 739-53. PMID 21384929 DOI: 10.1021/Ci100384D  0.557
2011 Mussa HY, Hawizy L, Nigsch F, Glen RC. Classifying large chemical data sets: using a regularized potential function method. Journal of Chemical Information and Modeling. 51: 4-14. PMID 21155612 DOI: 10.1021/Ci100022U  0.314
2008 Llinàs A, Glen RC, Goodman JM. Solubility challenge: can you predict solubilities of 32 molecules using a database of 100 reliable measurements? Journal of Chemical Information and Modeling. 48: 1289-303. PMID 18624401 DOI: 10.1021/Ci800058V  0.325
2008 Palmer DS, Llinàs A, Morao I, Day GM, Goodman JM, Glen RC, Mitchell JB. Predicting intrinsic aqueous solubility by a thermodynamic cycle. Molecular Pharmaceutics. 5: 266-79. PMID 18290628 DOI: 10.1021/Mp7000878  0.324
2007 Cannon EO, Amini A, Bender A, Sternberg MJ, Muggleton SH, Glen RC, Mitchell JB. Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds. Journal of Computer-Aided Molecular Design. 21: 269-80. PMID 17387437 DOI: 10.1007/S10822-007-9113-3  0.513
2007 Boyer S, Arnby CH, Carlsson L, Smith J, Stein V, Glen RC. Reaction site mapping of xenobiotic biotransformations. Journal of Chemical Information and Modeling. 47: 583-90. PMID 17302400 DOI: 10.1021/Ci600376Q  0.351
2007 Palmer DS, O'Boyle NM, Glen RC, Mitchell JB. Random forest models to predict aqueous solubility. Journal of Chemical Information and Modeling. 47: 150-8. PMID 17238260 DOI: 10.1021/Ci060164K  0.359
2006 Bender A, Jenkins JL, Li Q, Adams SE, Cannon EO, Glen RC. Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR. Annual Reports in Computational Chemistry. 2: 141-168. PMID 32362803 DOI: 10.1016/S1574-1400(06)02009-3  0.526
2006 Givehchi A, Bender A, Glen RC. Analysis of activity space by fragment fingerprints, 2D descriptors, and multitarget dependent transformation of 2D descriptors. Journal of Chemical Information and Modeling. 46: 1078-83. PMID 16711727 DOI: 10.1021/Ci0500233  0.486
2006 Rodgers S, Glen RC, Bender A. Characterizing bitterness: identification of key structural features and development of a classification model. Journal of Chemical Information and Modeling. 46: 569-76. PMID 16562985 DOI: 10.1021/Ci0504418  0.542
2006 Bender A, Jenkins JL, Li Q, Adams SE, Cannon EO, Glen RC. Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR Annual Reports in Computational Chemistry. 2: 141-168. DOI: 10.1016/S1574-1400(06)02009-3  0.428
2006 Glen RC, Adams SE. Similarity metrics and descriptor spaces - Which combinations to choose? Qsar and Combinatorial Science. 25: 1133-1142. DOI: 10.1002/Qsar.200610097  0.348
2005 Bender A, Glen RC. A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication. Journal of Chemical Information and Modeling. 45: 1369-75. PMID 16180913 DOI: 10.1021/Ci0500177  0.546
2005 Bender A, Mussa HY, Glen RC. Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets. Journal of Biomolecular Screening. 10: 658-66. PMID 16170051 DOI: 10.1177/1087057105281048  0.498
2005 Karthikeyan M, Glen RC, Bender A. General melting point prediction based on a diverse compound data set and artificial neural networks. Journal of Chemical Information and Modeling. 45: 581-90. PMID 15921448 DOI: 10.1021/Ci0500132  0.542
2005 Bender A, Klamt A, Wichmann K, Thormann M, Glen RC. Molecular similarity searching using COSMO screening charges (COSMO/3PP) Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 3695: 175-185. DOI: 10.1007/11560500_16  0.548
2004 Bender A, Mussa HY, Gill GS, Glen RC. Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D). Journal of Medicinal Chemistry. 47: 6569-83. PMID 15588092 DOI: 10.1021/jm049611i  0.462
2004 Bender A, Glen RC. Molecular similarity: a key technique in molecular informatics. Organic & Biomolecular Chemistry. 2: 3204-18. PMID 15534697 DOI: 10.1039/B409813G  0.563
2004 Bender A, Mussa HY, Glen RC, Reiling S. Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance. Journal of Chemical Information and Computer Sciences. 44: 1708-18. PMID 15446830 DOI: 10.1021/Ci0498719  0.526
2004 Bender A, Mussa HY, Glen RC, Reiling S. Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier. Journal of Chemical Information and Computer Sciences. 44: 170-8. PMID 14741025 DOI: 10.1021/Ci034207Y  0.54
2003 Xing L, Glen RC, Clark RD. Predicting pK(a) by molecular tree structured fingerprints and PLS. Journal of Chemical Information and Computer Sciences. 43: 870-9. PMID 12767145 DOI: 10.1021/Ci020386S  0.358
2002 Xing L, Glen RC. Novel methods for the prediction of logP, pK(a), and logD. Journal of Chemical Information and Computer Sciences. 42: 796-805. PMID 12132880 DOI: 10.1021/Ci010315D  0.377
2001 Jandu KS, Barrett V, Brockwell M, Cambridge D, Farrant DR, Foster C, Giles H, Glen RC, Hill AP, Hobbs H, Honey A, Martin GR, Salmon J, Smith D, Woollard P, et al. Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Journal of Medicinal Chemistry. 44: 681-93. PMID 11262079 DOI: 10.1021/Jm000956K  0.309
2001 Selwood DL, Brummell DG, Budworth J, Burtin GE, Campbell RO, Chana SS, Charles IG, Fernandez PA, Glen RC, Goggin MC, Hobbs AJ, Kling MR, Liu Q, Madge DJ, Meillerais S, et al. Synthesis and biological evaluation of novel pyrazoles and indazoles as activators of the nitric oxide receptor, soluble guanylate cyclase. Journal of Medicinal Chemistry. 44: 78-93. PMID 11141091 DOI: 10.1021/Jm001034K  0.304
1999 Moloney GP, Martin GR, Mathews N, Hobbs H, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. Synthesis and serotonergic activity of a series of 2-(N-benzyl)carboxamido-5-substituted-N,N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT1B-like receptors Journal of the Chemical Society-Perkin Transactions 1. 2699-2711. DOI: 10.1039/A903141C  0.317
1997 Breindl A, Beck B, Clark T, Glen RC. Prediction of the n-Octanol/Water Partition Coefficient, logP, Using a Combination of Semiempirical MO-Calculations and a Neural Network Journal of Molecular Modeling. 3: 142-155. DOI: 10.1007/S008940050027  0.304
1996 Beck B, Glen RC, Clark T. The inhibition of alpha-chymotrypsin predicted using theoretically derived molecular properties. Journal of Molecular Graphics. 14: 130-5, 142. PMID 8901640 DOI: 10.1016/S0263-7855(96)00041-0  0.326
1995 Jones G, Willett P, Glen RC. A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. Journal of Computer-Aided Molecular Design. 9: 532-49. PMID 8789195 DOI: 10.1007/Bf00124324  0.314
1995 Jones G, Willett P, Glen RC. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. Journal of Molecular Biology. 245: 43-53. PMID 7823319 DOI: 10.1016/S0022-2836(95)80037-9  0.326
1995 Nurok D, Kleyle RM, Hajdu P, Ellsworth B, Myers SS, Brogan TM, Lipkowitz KB, Glen RC. Solvent-Dependent Regression Equations for the Prediction of Retention in Planar Chromatography Analytical Chemistry. 67: 4423-4430. DOI: 10.1021/Ac00119A035  0.3
1993 Cupid BC, Nicholson JK, Davis P, Ruane RJ, Wilson ID, Glen RC, Rose VS, Beddell CR, Lindon JC. Quantitative structure chromatography relationships in reversed-phase high performance liquid chromatography: Prediction of retention behaviour using theoretically derived molecular properties Chromatographia. 37: 241-249. DOI: 10.1007/Bf02278628  0.341
1992 Ghauri FY, Blackledge CA, Glen RC, Sweatman BC, Lindon JC, Beddell CR, Wilson ID, Nicholson JK. Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies. Biochemical Pharmacology. 44: 1935-46. PMID 1449513 DOI: 10.1016/0006-2952(92)90095-Z  0.334
1992 A-Razzak M, Glen RC. Applications of rule-induction in the derivation of quantitative structure-activity relationships. Journal of Computer-Aided Molecular Design. 6: 349-83. PMID 1403028 DOI: 10.1007/Bf00125944  0.326
1983 NEWTON RF, REYNOLDS DP, KAY PB, WALLACE TW, ROBERTS SM, GLEN RC, MURRAY-RUST PM. ChemInform Abstract: SOME STEREOCONTROLLED RING-OPENING REACTIONS OF 6-SUBSTITUTED 2,3-EPOXYBICYCLO(3.2.0)HEPTANES Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198324147  0.449
1982 Murray-Rust P, Glen RC, Newton RF. (2S,3S)-2-exo-Bromo-3-endo-hydroxybicyclo[3.2.0]heptan-6-one Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 38: 2700-2702. DOI: 10.1107/S0567740882009674  0.514
1982 Murray-Rust P, Glen RC, Newton RF. 2,3-endo-Epoxybicyclo[3.2.0]heptan-6-one p-nitrophenylhydrazone Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 38: 2698-2700. DOI: 10.1107/S0567740882009662  0.494
1982 Murray-Rust P, Glen RC, Newton RF. N-(6-endo-Methoxy-3-oxo-2-oxabicyclo[3.2.1]oct-8-yl)-N-methyl-p-toluenesulphonamide Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 38: 2696-2698. DOI: 10.1107/S0567740882009650  0.498
1982 Glen RC, Murray-Rust P, Riddell FG, Newton RF, Kay PB. Ring–chain tautomerism ‘frozen-out’ by crystal packing forces: 13C n.m.r. spectroscopy and the remarkable crystal structure of the bromohydrin of 7,7-dichlorobicyclo[3.2.0]heptan-6-one Journal of the Chemical Society, Chemical Communications. 25-26. DOI: 10.1039/C39820000025  0.528
1979 Brown A, Glen R, Murray-Rust P, Murray-Rust J, Newton RF. X-Ray crystallographic determination of the conformation of bicyclo[3.3.0]octane and bicyclo[3.2.0]heptane derivatives and evidence for an O ⋯ CO interaction Journal of the Chemical Society, Chemical Communications. 1178-1179. DOI: 10.1039/C39790001178  0.519
Low-probability matches (unlikely to be authored by this person)
2014 Tyzack JD, Glen RC. Investigating and Predicting how Biology Changes Molecules and Their Properties. Molecular Informatics. 33: 443-5. PMID 27485980 DOI: 10.1002/Minf.201400031  0.299
2010 Carlsson L, Spjuth O, Adams S, Glen RC, Boyer S. Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse. Bmc Bioinformatics. 11: 362. PMID 20594327 DOI: 10.1186/1471-2105-11-362  0.299
1999 Moloney GP, Martin GR, Mathews N, Hobbs H, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. Synthesis and pharmacological profile of a series of 2,5-substituted-N,N-dimethyltryptamine derivatives as novel antagonists for the vascular 5-HT1B-like receptor Journal of the Chemical Society-Perkin Transactions 1. 2713-2723. DOI: 10.1039/A903328I  0.298
2010 Lowe R, Glen RC, Mitchell JB. Predicting phospholipidosis using machine learning. Molecular Pharmaceutics. 7: 1708-14. PMID 20799726 DOI: 10.1021/Mp100103E  0.296
1994 Glen RC. A fast empirical method for the calculation of molecular polarizability. Journal of Computer-Aided Molecular Design. 8: 457-66. PMID 7815097 DOI: 10.1007/Bf00125380  0.296
1990 Barraclough P, Black JW, Cambridge D, Collard D, Firmin D, Gerskowitch VP, Glen RC, Giles H, Hill AP, Hull RA. Inotropic "A" ring substituted sulmazole and isomazole analogues. Journal of Medicinal Chemistry. 33: 2231-9. PMID 2165165 DOI: 10.1021/Jm00170A030  0.296
2011 Macaluso NJ, Pitkin SL, Maguire JJ, Davenport AP, Glen RC. Discovery of a competitive apelin receptor (APJ) antagonist. Chemmedchem. 6: 1017-23. PMID 21560248 DOI: 10.1002/Cmdc.201100069  0.296
1997 Jones G, Willett P, Glen RC, Leach AR, Taylor R. Development and validation of a genetic algorithm for flexible docking. Journal of Molecular Biology. 267: 727-48. PMID 9126849 DOI: 10.1006/Jmbi.1996.0897  0.292
1995 Glen RC, Payne AW. A genetic algorithm for the automated generation of molecules within constraints. Journal of Computer-Aided Molecular Design. 9: 181-202. PMID 7608749 DOI: 10.1007/Bf00124408  0.292
1990 Barraclough P, Beams R, Black J, Cambridge D, Collard D, Demaine D, Firmin D, Gerskowitch V, Glen R, Giles H, Hill A, Hull R, Iyer R, King W, Livingstone D, et al. Inotropic activity of heterocyclic analogues of isomazole European Journal of Medicinal Chemistry. 25: 467-477. DOI: 10.1016/0223-5234(90)90141-O  0.288
2018 Peters K, Bradbury J, Bergmann S, Capuccini M, Cascante M, de Atauri P, Ebbels TMD, Foguet C, Glen R, Gonzalez-Beltran A, Günther UL, Handakas E, Hankemeier T, Haug K, Herman S, et al. PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud. Gigascience. PMID 30535405 DOI: 10.1093/Gigascience/Giy149  0.287
1992 Barraclough P, Black J, Cambridge D, Capon E, Cox M, Firmin D, Gerskowitch V, Giles H, Glen R, Hill A, Hull R, Iyer R, Kettle D, King W, Nobbs M, et al. Inotropic 2-arylimidazol[1,2-a]pyrimidines European Journal of Medicinal Chemistry. 27: 207-217. DOI: 10.1016/0223-5234(92)90004-K  0.287
1993 Barraclough P, Black JW, Cambridge D, Gerskowitch VP, Giles H, Glen RC, Hull RAD, Iyer R, King WR, Nobbs MS, Randall P, Shah GP, Stone D, Vine SJ, Whiting MV. Synthesis and pharmacological properties of BW315c and other inotropic 2-arylimidazo[1,2-a]pyrazines Bioorganic and Medicinal Chemistry Letters. 3: 509-514. DOI: 10.1016/S0960-894X(01)81217-8  0.286
1983 Newton RF, Reynolds DP, Kay PB, Wallace TW, Roberts SM, Glen RC, Murray-Rust PM. Some stereocontrolled ring-opening reactions of 6-substituted 2,3-epoxybicyclo[3.2.0]heptanes Journal of the Chemical Society-Perkin Transactions 1. 14: 675-681. DOI: 10.1039/P19830000675  0.286
2004 Marsden PM, Puvanendrampillai D, Mitchell JB, Glen RC. Predicting protein-ligand binding affinities: a low scoring game? Organic & Biomolecular Chemistry. 2: 3267-73. PMID 15534704 DOI: 10.1039/B409570G  0.282
1993 Payne AW, Glen RC. Molecular recognition using a binary genetic search algorithm. Journal of Molecular Graphics. 11: 74-91, 121-3. PMID 8394110 DOI: 10.1016/0263-7855(93)87001-L  0.282
1997 Moloney GP, Robertson AD, Martin GR, MacLennan S, Mathews N, Dodsworth S, Sang PY, Knight C, Glen R. A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Journal of Medicinal Chemistry. 40: 2347-62. PMID 9240350 DOI: 10.1021/Jm9605849  0.28
2019 Inglese P, Correia G, Pruski P, Glen RC, Takats Z. Colocalization Features for Classification of Tumors Using Desorption Electrospray Ionization Mass Spectrometry Imaging. Analytical Chemistry. PMID 31013058 DOI: 10.1021/Acs.Analchem.8B05598  0.279
2013 Mak L, Liggi S, Tan L, Kusonmano K, Rollinger JM, Koutsoukas A, Glen RC, Kirchmair J. Anti-cancer drug development: computational strategies to identify and target proteins involved in cancer metabolism. Current Pharmaceutical Design. 19: 532-77. PMID 23016852 DOI: 10.2174/1381612811306040532  0.279
2020 Robinson MC, Glen RC, Lee AA. Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction. Journal of Computer-Aided Molecular Design. PMID 31960253 DOI: 10.1007/S10822-019-00274-0  0.278
2015 Kirchmair J, Göller AH, Lang D, Kunze J, Testa B, Wilson ID, Glen RC, Schneider G. Predicting drug metabolism: experiment and/or computation? Nature Reviews. Drug Discovery. 14: 387-404. PMID 25907346 DOI: 10.1038/Nrd4581  0.277
1999 Moloney GP, Martin GR, Mathews N, MacLennan S, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. Synthesis and serotonergic activity of 2-oxadiazolyl-5-substituted-N,N-dimethyltryptamines: novel antagonists for the vascular 5-HT1B-like receptor Journal of the Chemical Society-Perkin Transactions 1. 2725-2733. DOI: 10.1039/A903325D  0.276
1999 Moloney GP, Martin GR, Mathews N, Milne A, Hobbs H, Dodsworth S, Sang PY, Knight C, Williams M, Maxwell M, Glen RC. Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Journal of Medicinal Chemistry. 42: 2504-26. PMID 10411472 DOI: 10.1021/Jm9706325  0.273
1985 Glen RC. Influence of background colour on the chirality of anaglyph (red/green) stereo diagrams Journal of Molecular Graphics. 3: 135. DOI: 10.1016/0263-7855(85)80024-2  0.272
2004 Nerukh D, Karvounis G, Glen RC. Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems Complexity. 10: 40-46. DOI: 10.1002/Cplx.20055  0.271
2017 Inglese P, McKenzie JS, Mroz A, Kinross J, Veselkov K, Holmes E, Takats Z, Nicholson JK, Glen RC. Deep learning and 3D-DESI imaging reveal the hidden metabolic heterogeneity of cancer. Chemical Science. 8: 3500-3511. PMID 28507724 DOI: 10.1039/C6Sc03738K  0.271
1994 Clark DE, Jones G, Willett P, Kenny PW, Glen RC. Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching Journal of Chemical Information and Modeling. 34: 197-206. DOI: 10.1021/Ci00017A026  0.269
2019 Read C, Nyimanu D, Williams TL, Huggins DJ, Sulentic P, Macrae RGC, Yang P, Glen RC, Maguire JJ, Davenport AP. International Union of Basic and Clinical Pharmacology. CVII. Structure and Pharmacology of the Apelin Receptor with a Recommendation that Elabela/Toddler Is a Second Endogenous Peptide Ligand. Pharmacological Reviews. 71: 467-502. PMID 31492821 DOI: 10.1124/Pr.119.017533  0.268
2016 Read C, Fitzpatrick CM, Yang P, Kuc RE, Maguire JJ, Glen RC, Foster RE, Davenport AP. Cardiac action of the first G protein biased small molecule apelin agonist. Biochemical Pharmacology. PMID 27475715 DOI: 10.1016/J.Bcp.2016.07.018  0.267
2001 Selwood DL, Brummell DG, Glen RC, Goggin MC, Reynolds K, Tatlock MA, Wishart G. Solution-Phase parallel synthesis of 5-carboxamido 1-benzyl-3-(3-dimethylaminopropyloxy)-1H-pyrazoles as activators of soluble guanylate cyclase with improved oral bioavailability. Bioorganic & Medicinal Chemistry Letters. 11: 1089-92. PMID 11327597 DOI: 10.1016/S0960-894X(01)00141-X  0.266
2019 Dube N, Marzinek JK, Glen RC, Bond PJ. The structural basis for membrane assembly of immunoreceptor signalling complexes. Journal of Molecular Modeling. 25: 277. PMID 31456056 DOI: 10.1007/S00894-019-4165-6  0.265
2007 Llinàs A, Box KJ, Burley JC, Glen RC, Goodman JM. A new method for the reproducible generation of polymorphs: Two forms of sulindac with very different solubilities Journal of Applied Crystallography. 40: 379-381. DOI: 10.1107/S0021889807007832  0.263
2002 Nerukh D, Karvounis G, Glen RC. Complexity of classical dynamics of molecular systems. II. Finite statistical complexity of a water-Na+ system Journal of Chemical Physics. 117: 9618-9622. DOI: 10.1063/1.1518011  0.262
2015 Braun H, Kirchmair J, Williamson MJ, Makarov VA, Riabova OB, Glen RC, Sauerbrei A, Schmidtke M. Molecular mechanism of a specific capsid binder resistance caused by mutations outside the binding pocket. Antiviral Research. 123: 138-145. PMID 26391975 DOI: 10.1016/J.Antiviral.2015.09.009  0.262
2009 Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, et al. A crowdsourcing evaluation of the NIH chemical probes. Nature Chemical Biology. 5: 441-7. PMID 19536101 DOI: 10.1038/Nchembio0709-441  0.262
1995 Beck B, Clark T, Glen RC. A Detailed Study of VESPA Electrostatic Potential-Derived Atomic Charges Journal of Molecular Modeling. 1: 176-187. DOI: 10.1007/S008940050014  0.261
2007 Llinàs A, Burley JC, Box KJ, Glen RC, Goodman JM. Diclofenac solubility: independent determination of the intrinsic solubility of three crystal forms. Journal of Medicinal Chemistry. 50: 979-83. PMID 17298048 DOI: 10.1021/Jm0612970  0.26
2002 Nerukh D, Karvounis G, Glen RC. Complexity of classical dynamics of molecular systems. I. Methodology Journal of Chemical Physics. 117: 9611-9617. DOI: 10.1063/1.1518010  0.26
2009 Hopfinger AJ, Esposito EX, Llinàs A, Glen RC, Goodman JM. Findings of the challenge to predict aqueous solubility. Journal of Chemical Information and Modeling. 49: 1-5. PMID 19117422 DOI: 10.1021/Ci800436C  0.259
2008 Nerukh D, Ryabov V, Glen RC. Complex temporal patterns in molecular dynamics: a direct measure of the phase-space exploration by the trajectory at macroscopic time scales. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 036225. PMID 18517503 DOI: 10.1103/Physreve.77.036225  0.256
2015 Brame AL, Maguire JJ, Yang P, Dyson A, Torella R, Cheriyan J, Singer M, Glen RC, Wilkinson IB, Davenport AP. Design, characterization, and first-in-human study of the vascular actions of a novel biased apelin receptor agonist. Hypertension. 65: 834-40. PMID 25712721 DOI: 10.1161/Hypertensionaha.114.05099  0.256
1992 Barraclough P, Black JW, Cambridge D, Firmin D, Gerskowitch VP, Glen RC, Giles H, Gillam JM, Hull RA, Iyer R. Inotropic polyazapentalene sulmazole analogues. Archiv Der Pharmazie. 325: 225-34. PMID 1530455 DOI: 10.1002/Ardp.19923250407  0.254
2004 Moloney GP, Garavelas A, Martin GR, Maxwell M, Glen RC. Synthesis and serotonergic activity of variously substituted (3-amido)phenylpiperazine derivatives and benzothiophene-4-piperazine derivatives: novel antagonists for the vascular 5-HT1B receptor. European Journal of Medicinal Chemistry. 39: 305-21. PMID 15072840 DOI: 10.1016/J.Ejmech.2003.12.008  0.254
2019 Sands CJ, Wolfer AM, Correia GD, Sadawi N, Ahmed A, Jiménez B, Lewis MR, Glen RC, Nicholson JK, Pearce JT. The nPYc-Toolbox, a Python module for the pre-processing, quality-control, and analysis of metabolic profiling datasets. Bioinformatics (Oxford, England). PMID 31350543 DOI: 10.1093/Bioinformatics/Btz566  0.253
2002 Glen R. Developing tools and standards in molecular informatics. Interview by Susan Aldridge. Chemical Communications (Cambridge, England). 2745-7. PMID 12478731 DOI: 10.1039/B207793K  0.252
2004 Glen RC. New horizons in molecular informatics. Organic & Biomolecular Chemistry. 2: E5-6. PMID 15536510 DOI: 10.1039/B414850A  0.251
1995 Kelley JL, Davis RG, McLean EW, Glen RC, Soroko FE, Cooper BR. Synthesis and anticonvulsant activity of N-benzylpyrrolo[2,3-d]-, -pyrazolo[3,4-d]-, and -triazolo[4,5-d]pyrimidines: imidazole ring-modified analogues of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine. Journal of Medicinal Chemistry. 38: 3884-8. PMID 7562920 DOI: 10.1021/Jm00019A019  0.251
2019 Tong Z, Guo J, Glen RC, Morrell NW, Li W. A Bone Morphogenetic Protein (BMP)-derived Peptide Based on the Type I Receptor-binding Site Modifies Cell-type Dependent BMP Signalling. Scientific Reports. 9: 13446. PMID 31530856 DOI: 10.1038/S41598-019-49758-X  0.25
2009 Mussa HY, Glen RC. A new approach to kernel based data analysis algorithms Chemistry Central Journal. 3. DOI: 10.1186/1752-153X-3-S1-O6  0.25
2023 Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC, Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, ... ... Glen RC, et al. Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science (New York, N.Y.). 382: eabo7201. PMID 37943932 DOI: 10.1126/science.abo7201  0.248
2014 Torella R, Li J, Kinrade E, Cerda-Moya G, Contreras AN, Foy R, Stojnic R, Glen RC, Kovall RA, Adryan B, Bray SJ. A combination of computational and experimental approaches identifies DNA sequence constraints associated with target site binding specificity of the transcription factor CSL. Nucleic Acids Research. 42: 10550-63. PMID 25114055 DOI: 10.1093/Nar/Gku730  0.247
2010 Nerukh D, Jensen CH, Glen RC. Identifying and correcting non-Markov states in peptide conformational dynamics. The Journal of Chemical Physics. 132: 084104. PMID 20192287 DOI: 10.1063/1.3328781  0.247
1997 Beck B, Clark T, Glen RC. VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods Journal of Computational Chemistry. 18: 744-756. DOI: 10.1002/(Sici)1096-987X(19970430)18:6<744::Aid-Jcc2>3.0.Co;2-S  0.247
2020 Koundouros N, Karali E, Tripp A, Valle A, Inglese P, Perry NJS, Magee DJ, Anjomani Virmouni S, Elder GA, Tyson AL, Dória ML, van Weverwijk A, Soares RF, Isacke CM, Nicholson JK, ... Glen RC, et al. Metabolic Fingerprinting Links Oncogenic PIK3CA with Enhanced Arachidonic Acid-Derived Eicosanoids. Cell. 181: 1596-1611.e27. PMID 32559461 DOI: 10.1016/J.Cell.2020.05.053  0.245
2013 Mussa HY, Mitchell JB, Glen RC. Full "Laplacianised" posterior naive Bayesian algorithm. Journal of Cheminformatics. 5: 37. PMID 23968281 DOI: 10.1186/1758-2946-5-37  0.242
2007 Lunn JC, Kuhnle G, Mai V, Frankenfeld C, Shuker DE, Glen RC, Goodman JM, Pollock JR, Bingham SA. The effect of haem in red and processed meat on the endogenous formation of N-nitroso compounds in the upper gastrointestinal tract. Carcinogenesis. 28: 685-90. PMID 17052997 DOI: 10.1093/Carcin/Bgl192  0.241
2010 Macaluso NJ, Glen RC. Exploring the 'RPRL' motif of apelin-13 through molecular simulation and biological evaluation of cyclic peptide analogues. Chemmedchem. 5: 1247-53. PMID 20486151 DOI: 10.1002/Cmdc.201000061  0.24
2008 Jensen CH, Nerukh D, Glen RC. Controlling protein molecular dynamics: how to accelerate folding while preserving the native state. The Journal of Chemical Physics. 129: 225102. PMID 19071948 DOI: 10.1063/1.3025888  0.239
2017 Harford-Wright E, Andre-Gregoire G, Jacobs KA, Treps L, Le Gonidec S, Leclair HM, Gonzalez-Diest S, Roux Q, Guillonneau F, Loussouarn D, Oliver L, Vallette FM, Foufelle F, Valet P, Davenport AP, ... Glen RC, et al. Pharmacological targeting of apelin impairs glioblastoma growth. Brain : a Journal of Neurology. PMID 29053791 DOI: 10.1093/Brain/Awx253  0.238
1991 Liu M, Farrant RD, Glen RC, Lindon JC, Barraclough P, Smith S. Studies of tautomerism and protonation in 2-aryl-1H-imidazo[1,2-a]imidazole derivatives using 1H and 13C NMR Magnetic Resonance in Chemistry. 29: 1147-1151. DOI: 10.1002/Mrc.1260291112  0.236
2012 Glen RC. Computational chemistry and cheminformatics: an essay on the future. Journal of Computer-Aided Molecular Design. 26: 47-9. PMID 22160586 DOI: 10.1007/S10822-011-9501-6  0.234
1993 Barraclough P, Caldwell AG, Glen RC, Harris CJ, Stepney R, Whittaker N, Whittle BJ. Synthesis and platelet aggregation inhibiting activity of acid side-chain modified hydantoin prostaglandin analogues. Archiv Der Pharmazie. 326: 85-95. PMID 8457150 DOI: 10.1002/Ardp.19933260206  0.233
2017 Cooper S, Barr AR, Glen R, Bakal C. NucliTrack: An integrated nuclei tracking application. Bioinformatics (Oxford, England). PMID 28637183 DOI: 10.1093/Bioinformatics/Btx404  0.233
2013 Mussa HY, Tyzack JD, Glen RC. Note on the Rademacher-Walsh Polynomial Basis Functions Journal of Mathematics Research. 5. DOI: 10.5539/Jmr.V5N1P114  0.233
2009 Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, et al. Erratum: A crowdsourcing evaluation of the NIH chemical probes Nature Chemical Biology. 5: 600-600. DOI: 10.1038/Nchembio0809-600  0.229
2006 Glen RC, Schneider G. Challenges in virtual screening Qsar and Combinatorial Science. 25: 1131. DOI: 10.1002/Qsar.200690032  0.226
2006 Bender A, Fergus S, Galloway WR, Glansdorp FG, Marsden DM, Nicholson RL, Spandl RJ, Thomas GL, Wyatt EE, Glen RC, Spring DR. Diversity oriented synthesis: a challenge for synthetic chemists. Ernst Schering Research Foundation Workshop. 47-60. PMID 16708998 DOI: 10.1007/978-3-540-37635-4_4  0.223
2010 Mussa HY, Glen RC. Memory-efficient fully coupled filtering approach for observational model building. Ieee Transactions On Neural Networks / a Publication of the Ieee Neural Networks Council. 21: 680-6. PMID 20194056 DOI: 10.1109/Tnn.2010.2041067  0.223
2003 Glen RC, Allen SC. Ligand-protein docking: cancer research at the interface between biology and chemistry. Current Medicinal Chemistry. 10: 763-7. PMID 12678780 DOI: 10.2174/0929867033457809  0.222
2017 Yang P, Kuc RE, Brame AL, Dyson A, Singer M, Glen RC, Cheriyan J, Wilkinson IB, Davenport AP, Maguire JJ. [Pyr(1)]Apelin-13(1-12) Is a Biologically Active ACE2 Metabolite of the Endogenous Cardiovascular Peptide [Pyr(1)]Apelin-13. Frontiers in Neuroscience. 11: 92. PMID 28293165 DOI: 10.3389/Fnins.2017.00092  0.222
2008 Jensen CH, Nerukh D, Glen RC. Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory. The Journal of Chemical Physics. 128: 115107. PMID 18361622 DOI: 10.1063/1.2838980  0.221
2017 Yang P, Read C, Kuc RE, Buonincontri G, Southwood M, Torella R, Upton PD, Crosby A, Sawiak SJ, Carpenter TA, Glen RC, Morrell NW, Maguire JJ, Davenport AP. Elabela/Toddler is an Endogenous Agonist of the Apelin APJ Receptor in the Adult Cardiovascular System, and Exogenous Administration of the Peptide Compensates for the Downregulation of its Expression in Pulmonary Arterial Hypertension. Circulation. PMID 28137936 DOI: 10.1161/Circulationaha.116.023218  0.221
2004 Karvounis G, Nerukh D, Glen RC. Water network dynamics at the critical moment of a peptide's beta-turn formation: a molecular dynamics study. The Journal of Chemical Physics. 121: 4925-35. PMID 15332928 DOI: 10.1063/1.1780152  0.221
2018 Inglese P, Correia G, Takats Z, Nicholson JK, Glen RC. SPUTNIK: an R package for filtering of spatially related peaks in mass spectrometry imaging data. Bioinformatics (Oxford, England). PMID 30010780 DOI: 10.1093/Bioinformatics/Bty622  0.219
2019 Read C, Yang P, Kuc RE, Nyimanu D, Williams TL, Glen RC, Holt LJ, Arulanantham H, Smart A, Davenport AP, Maguire JJ. Apelin peptides linked to anti-serum albumin domain antibodies retain affinity in vitro and are efficacious receptor agonists in vivo. Basic & Clinical Pharmacology & Toxicology. PMID 30901161 DOI: 10.1111/Bcpt.13227  0.217
2009 Glen RC, Bell J. Dynamic pharmacophores of the 5-HT1B receptor Chemistry Central Journal. 3. DOI: 10.1186/1752-153X-3-S1-O18  0.215
1994 Brown RD, Jones G, Willett P, Glen RC. Matching two-dimensional chemical graphs using genetic algorithms Journal of Chemical Information and Modeling. 34: 63-70. DOI: 10.1021/Ci00017A008  0.213
2020 Liu KD, Acharjee A, Hinz C, Liggi S, Murgia A, Denes J, Gulston MK, Wang X, Chu Y, West JA, Glen RC, Roberts LD, Murray AJ, Griffin JL. The consequences of lipid remodelling of adipocyte membranes being functionally distinct from lipid storage in obesity. Journal of Proteome Research. PMID 32646215 DOI: 10.1021/Acs.Jproteome.9B00894  0.211
2018 Hoyles L, Snelling T, Umlai UK, Nicholson JK, Carding SR, Glen RC, McArthur S. Microbiome-host systems interactions: protective effects of propionate upon the blood-brain barrier. Microbiome. 6: 55. PMID 29562936 DOI: 10.1186/S40168-018-0439-Y  0.208
2008 Llinàs A, Burley JC, Prior TJ, Glen RC, Goodman JM. Concomitant hydrate polymorphism in the precipitation of sparfloxacin from aqueous solution Crystal Growth and Design. 8: 114-118. DOI: 10.1021/Cg700908M  0.203
2017 Weber RJ, Lawson TN, Salek RM, Ebbels TM, Glen RC, Goodacre R, Griffin JL, Haug K, Koulman A, Moreno P, Ralser M, Steinbeck C, Dunn WB, Viant MR. Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy. Metabolomics : Official Journal of the Metabolomic Society. 13: 12. PMID 28090198 DOI: 10.1007/S11306-016-1147-X  0.202
1982 Murray-Rust P, Glen RC, Newton RF. 3-exo-Methoxy-6,7-endo-epoxy-2-oxabicyclo[3.3.0]octane Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 38: 2702-2704. DOI: 10.1107/S0567740882009686  0.199
2015 Chilloux J, Fearnside J, Barton R, Fuchs J, Rothwell A, Hoyles L, Gerard C, Calderari S, Boulange C, Patel S, Scott J, Glen R, Gauguier D, Gooderham N, Nicholson J, et al. P145 La trimethylamine, métabolite du microbiote intestinal, inhibe la voie inflammatoire des Toll-Like Receptor (TLRs) via une inhibition directe d’une enzyme clé de la transduction du signal Diabetes & Metabolism. 41: A69. DOI: 10.1016/S1262-3636(15)30258-5  0.19
1982 Murray-Rust P, Glen RC, Newton RF, Ali SM. 7,8-endo-Epoxy-2-oxatricyclo[3.3.0.04,6]octan-3-one Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 38: 2704-2707. DOI: 10.1107/S0567740882009698  0.185
2014 Koutsoukas A, Lowe R, KalantarMotamedi Y, Mussa HY, Klaffke W, Mitchell JBO, Glen RC, Bender A. Erratum for “In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window” Journal of Chemical Information and Modeling. 54: 2180-2182. DOI: 10.1021/ci500255v  0.175
2020 Iacovacci J, Peluso A, Ebbels T, Ralser M, Glen RC. Extraction and Integration of Genetic Networks from Short-Profile Omic Data Sets. Metabolites. 10. PMID 33137869 DOI: 10.3390/metabo10110435  0.161
2014 Tyzack JD, Glen RC. Investigating and predicting how biology changes molecules and their properties Molecular Informatics. 33: 443-445. DOI: 10.1002/minf.201400031  0.158
2020 Ashrafian H, Sounderajah V, Glen R, Ebbels T, Blaise BJ, Kalra D, Kultima K, Spjuth O, Tenori L, Salek R, Kale N, Haug K, Schober D, Rocca-Serra P, O'Donovan C, et al. Metabolomics - the stethoscope for the 21st century. Medical Principles and Practice : International Journal of the Kuwait University, Health Science Centre. PMID 33271569 DOI: 10.1159/000513545  0.118
2008 A-Razzak M, Glen RC. Rule Induction Applied to the Derivation of Quantitative Structure-Activity Relationships Advanced Computer-Assisted Techniques in Drug Discovery. 3: 319-331. DOI: 10.1002/9783527615674.ch5  0.115
2004 Bender A, Mussa HY, Gill GS, Glen RC. Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT) Conference Proceedings - Ieee International Conference On Systems, Man and Cybernetics. 5: 4553-4558. DOI: 10.1109/ICSMC.2004.1401249  0.115
2021 Peluso A, Glen R, Ebbels TMD. Multiple-testing correction in metabolome-wide association studies. Bmc Bioinformatics. 22: 67. PMID 33579202 DOI: 10.1186/s12859-021-03975-2  0.114
2010 Moloney GP, Martin GR, Mathews N, Hobbs H, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. ChemInform Abstract: Synthesis and Pharmacological Profile of a Series of 2,5-Substituted-N,N-dimethyltryptamine Derivatives (I) as Novel Antagonists for the Vascular 5-HT1B-Like Receptor. Cheminform. 31: no-no. DOI: 10.1002/CHIN.200004258  0.109
2012 Wang Z, Mussa HY, Lowe R, Glen RC, Yan A. Probability based hERG blocker classifiers Molecular Informatics. 31: 679-685. DOI: 10.1002/minf.201200011  0.101
2020 Read C, Nyimanu D, Yang P, Kuc RE, Williams TL, Fitzpatrick CM, Foster R, Glen RC, Maguire JJ, Davenport AP. The G Protein Biased Small Molecule Apelin Agonist CMF-019 is Disease Modifying in Endothelial Cell Apoptosis and Induces Vasodilatation Without Desensitisation . Frontiers in Pharmacology. 11: 588669. PMID 33716722 DOI: 10.3389/fphar.2020.588669  0.099
2010 Moloney GP, Martin GR, Mathews N, Hobbs H, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. ChemInform Abstract: Synthesis and Serotonergic Activity of a Series of 2-(N-Benzyl)-carboxamido-5-substituted-N,N-dimethyltryptamine Derivatives (I): Novel Antagonists for the Vascular 5-HT1B-Like Receptors. Cheminform. 31: no-no. DOI: 10.1002/CHIN.200004257  0.094
2010 Moloney GP, Martin GR, Mathews N, MacLennan S, Dodsworth S, Sang PY, Knight C, Maxwell M, Glen RC. ChemInform Abstract: Synthesis and Serotonergic Activity of 2-Oxadiazolyl-5-substituted-N,N-dimethyltryptamines (I): Novel Antagonists for the Vascular 5-HT1B-Like Receptor. Cheminform. 31: no-no. DOI: 10.1002/CHIN.200004259  0.093
1993 Payne A, Glen R. Molecular similarity using a binary genetic search algorithm Journal of Molecular Graphics. 11: 59. DOI: 10.1016/0263-7855(93)85017-K  0.087
2007 Glen RC, Adams SE. Similarity Metrics and Descriptor Spaces — Which Combinations to Choose Cheminform. 38. DOI: 10.1002/CHIN.200715267  0.081
1995 Nurok D, Kleyle RM, Hajdu P, Ellsworth B, Myers SS, Brogan TM, Lipkowitz KB, Glen RC. Solvent-Dependent Regression Equations for the Prediction of Retention in Planar Chromatography Analytical Chemistry. 67: 4423-4430. DOI: 10.1021/AC00119A035  0.081
2007 Jensen CH, Nerukh D, Glen RC. Calculating mean first passage times from Markov models of proteins Aip Conference Proceedings. 940: 150-157. DOI: 10.1063/1.2793397  0.073
2010 Selwood DL, Brummell DG, Glen RC, Goggin MC, Reynolds K, Tatlock MA, Wishart G. ChemInform Abstract: Solution-Phase Parallel Synthesis of 5-Carboxamido 1-Benzyl-3-(3-dimethylaminopropyloxy)-1H-pyrazoles as Activators of Soluble Guanylate Cyclase with Improved Oral Bioavailability. Cheminform. 32: no-no. DOI: 10.1002/CHIN.200133130  0.07
2024 Williams TL, Nyimanu D, Kuc RE, Foster R, Glen RC, Maguire JJ, Davenport AP. The biased apelin receptor agonist, MM07, reverses Sugen/hypoxia-induced pulmonary arterial hypertension as effectively as the endothelin antagonist macitentan. Frontiers in Pharmacology. 15: 1369489. PMID 38655187 DOI: 10.3389/fphar.2024.1369489  0.069
2021 Ingwersen T, Linnenberg C, D'Acunto E, Temori S, Paolucci I, Wasilewski D, Mohammadi B, Kirchmair J, Glen RC, Miranda E, Glatzel M, Galliciotti G. G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic. Scientific Reports. 11: 8766. PMID 33888787 DOI: 10.1038/s41598-021-88090-1  0.063
2021 Hoyles L, Pontifex MG, Rodriguez-Ramiro I, Anis-Alavi MA, Jelane KS, Snelling T, Solito E, Fonseca S, Carvalho AL, Carding SR, Müller M, Glen RC, Vauzour D, McArthur S. Regulation of blood-brain barrier integrity by microbiome-associated methylamines and cognition by trimethylamine N-oxide. Microbiome. 9: 235. PMID 34836554 DOI: 10.1186/s40168-021-01181-z  0.059
2010 BARRACLOUGH P, BLACK JW, CAMBRIDGE D, CAPON E, COX MR, FIRMIN D, GERSKOWITCH VP, GILES H, GLEN RC, HILL AP, HULL RAD, IYER R, KETTLE D, KING WR, NOBBS MS, et al. ChemInform Abstract: Inotropic 2-Arylimidazol(1,2-a)pyrimidines. Cheminform. 23: no-no. DOI: 10.1002/CHIN.199239212  0.053
2009 Lin DJ, Li YH, Pai JY, Sheu IC, Glen R, Chou MJ, Lee CY. Chronic kidney-disease screening service quality: questionnaire survey research evidence from Taichung City. Bmc Health Services Research. 9: 239. PMID 20021684 DOI: 10.1186/1472-6963-9-239  0.045
2007 McCormick PS, Murray P, Glen RC. Cluster Assisted Mixed effect Models (CAMM) for the identification of differentially expressed genes Aip Conference Proceedings. 940: 26-37. DOI: 10.1063/1.2793401  0.045
2015 Fernstad SJ, Glen RC. Visual analysis of missing data - To see what isn't there 2014 Ieee Conference On Visual Analytics Science and Technology, Vast 2014 - Proceedings. 249-250. DOI: 10.1109/VAST.2014.7042514  0.043
2023 Walsh TS, Aitken LM, McKenzie CA, Boyd J, Macdonald A, Giddings A, Hope D, Norrie J, Weir C, Parker RA, Lone NI, Emerson L, Kydonaki K, Creagh-Brown B, Morris S, ... ... Glen R, et al. Alpha 2 agonists for sedation to produce better outcomes from critical illness (A2B Trial): protocol for a multicentre phase 3 pragmatic clinical and cost-effectiveness randomised trial in the UK. Bmj Open. 13: e078645. PMID 38072483 DOI: 10.1136/bmjopen-2023-078645  0.041
2014 Lin J, Hsiao CT, Glen R, Pai JY, Zeng SH. Perceived service quality, perceived value, overall satisfaction and happiness of outlook for long-term care institution residents. Health Expectations : An International Journal of Public Participation in Health Care and Health Policy. 17: 311-20. PMID 22429448 DOI: 10.1111/j.1369-7625.2012.00769.x  0.023
1986 Schmiechen JA, Glen R. Urban Workers in the Early Industrial Revolution Technology and Culture. 27: 880. DOI: 10.2307/3105359  0.02
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