Year |
Citation |
Score |
2020 |
Liu LC, Ho MY, Su BH, Wang SY, Hsu MT, Tseng YJ. PanGPCR: Predictions for Multiple Targets, Repurposing and Side Effects. Bioinformatics (Oxford, England). PMID 32915954 DOI: 10.1093/Bioinformatics/Btaa766 |
0.329 |
|
2020 |
Hsiao Y, Su BH, Tseng YJ. Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development. Briefings in Bioinformatics. PMID 32770190 DOI: 10.1093/Bib/Bbaa160 |
0.346 |
|
2020 |
Chen JH, Tseng YJ. Different molecular enumeration influences in deep learning: an example using aqueous solubility. Briefings in Bioinformatics. PMID 32501508 DOI: 10.1093/Bib/Bbaa092 |
0.356 |
|
2018 |
Lin FY, Esposito EX, Tseng YJ. LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility. Frontiers in Pharmacology. 9: 96. PMID 29556192 DOI: 10.3389/Fphar.2018.00096 |
0.325 |
|
2017 |
Harn YC, Su BH, Ku YL, Lin OA, Chou CF, Tseng YJ. NP-StructurePredictor: prediction of unknown natural products in plant mixtures. Journal of Chemical Information and Modeling. PMID 29131618 DOI: 10.1021/Acs.Jcim.7B00565 |
0.339 |
|
2016 |
Hsu KH, Su BH, Tu YS, Lin OA, Tseng YJ. Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis. Plos One. 11: e0148900. PMID 26863515 DOI: 10.1371/Journal.Pone.0148900 |
0.364 |
|
2015 |
Esposito EX, Hopfinger AJ, Shao CY, Su BH, Chen SZ, Tseng YJ. Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models. Toxicology and Applied Pharmacology. 288: 52-62. PMID 26200234 DOI: 10.1016/J.Taap.2015.07.008 |
0.546 |
|
2015 |
Su BH, Tu YS, Lin C, Shao CY, Lin OA, Tseng YJ. Rule-based Prediction Models of Cytochrome P450 Inhibition. Journal of Chemical Information and Modeling. PMID 26108525 DOI: 10.1021/Acs.Jcim.5B00130 |
0.432 |
|
2015 |
Su BH, Tu YS, Lin OA, Harn YC, Shen MY, Tseng YJ. Rule-based classification models of molecular autofluorescence. Journal of Chemical Information and Modeling. 55: 434-45. PMID 25625768 DOI: 10.1021/Ci5007432 |
0.377 |
|
2015 |
Shao CY, Su BH, Tu YS, Lin C, Lin OA, Tseng YJ. CypRules: a rule-based P450 inhibition prediction server. Bioinformatics (Oxford, England). 31: 1869-71. PMID 25617412 DOI: 10.1093/Bioinformatics/Btv043 |
0.351 |
|
2015 |
Esposito EX, Hopfinger AJ, Shao CY, Su BH, Chen SZ, Tseng YJ. Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: Interpretation of physicochemical properties from optimal QSAR models Toxicology and Applied Pharmacology. 288: 52-62. DOI: 10.1016/j.taap.2015.07.008 |
0.484 |
|
2013 |
Su BH, Huang YS, Chang CY, Tu YS, Tseng YJ. Template-based de novo design for type II kinase inhibitors and its extented application to acetylcholinesterase inhibitors. Molecules (Basel, Switzerland). 18: 13487-509. PMID 24184819 DOI: 10.3390/Molecules181113487 |
0.337 |
|
2013 |
Chang CY, Hsu MT, Esposito EX, Tseng YJ. Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods. Journal of Chemical Information and Modeling. 53: 958-71. PMID 23464929 DOI: 10.1021/Ci4000536 |
0.5 |
|
2013 |
Shao CY, Chen SZ, Su BH, Tseng YJ, Esposito EX, Hopfinger AJ. Dependence of QSAR models on the selection of trial descriptor sets: a demonstration using nanotoxicity endpoints of decorated nanotubes. Journal of Chemical Information and Modeling. 53: 142-58. PMID 23252880 DOI: 10.1021/Ci3005308 |
0.623 |
|
2013 |
Wang KC, Wang SY, Kuo CH, Tseng YJ. Distribution-based classification method for baseline correction of metabolomic 1D proton nuclear magnetic resonance spectra. Analytical Chemistry. 85: 1231-9. PMID 23249210 DOI: 10.1021/Ac303233C |
0.343 |
|
2012 |
Su BH, Tu YS, Esposito EX, Tseng YJ. Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions. Journal of Chemical Information and Modeling. 52: 1660-73. PMID 22642982 DOI: 10.1021/Ci300060B |
0.512 |
|
2012 |
Tseng YJ, Hopfinger AJ, Esposito EX. The great descriptor melting pot: mixing descriptors for the common good of QSAR models. Journal of Computer-Aided Molecular Design. 26: 39-43. PMID 22200979 DOI: 10.1007/S10822-011-9511-4 |
0.655 |
|
2011 |
Lin FY, Tseng YJ. Structure-based fragment hopping for lead optimization using predocked fragment database. Journal of Chemical Information and Modeling. 51: 1703-15. PMID 21627327 DOI: 10.1021/Ci200136J |
0.353 |
|
2011 |
Shen MY, Su BH, Esposito EX, Hopfinger AJ, Tseng YJ. A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets. Chemical Research in Toxicology. 24: 934-49. PMID 21504223 DOI: 10.1021/Tx200099J |
0.678 |
|
2010 |
Su BH, Shen MY, Esposito EX, Hopfinger AJ, Tseng YJ. In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage. Journal of Chemical Information and Modeling. 50: 1304-18. PMID 20565102 DOI: 10.1021/Ci100081J |
0.682 |
|
2008 |
Zheng T, Hopfinger AJ, Esposito EX, Liu J, Tseng YJ. Membrane-interaction quantitative structure--activity relationship (MI-QSAR) analyses of skin penetration enhancers. Journal of Chemical Information and Modeling. 48: 1238-56. PMID 18507373 DOI: 10.1021/Ci8000277 |
0.699 |
|
2008 |
Liu J, Kern PS, Gerberick GF, Santos-Filho OA, Esposito EX, Hopfinger AJ, Tseng YJ. Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. Journal of Computer-Aided Molecular Design. 22: 345-66. PMID 18338230 DOI: 10.1007/S10822-008-9190-Y |
0.682 |
|
2007 |
Li Y, Pan D, Liu J, Kern PS, Gerberick GF, Hopfinger AJ, Tseng YJ. Categorical QSAR Models for skin sensitization based upon local lymph node assay classification measures part 2: 4D-fingerprint three-state and two-2-state logistic regression models. Toxicological Sciences : An Official Journal of the Society of Toxicology. 99: 532-44. PMID 17675333 DOI: 10.1093/Toxsci/Kfm185 |
0.76 |
|
2007 |
Iyer M, Zheng T, Hopfinger AJ, Tseng YJ. QSAR analyses of skin penetration enhancers. Journal of Chemical Information and Modeling. 47: 1130-49. PMID 17472334 DOI: 10.1021/Ci700051E |
0.749 |
|
2007 |
Iyer M, Tseng YJ, Senese CL, Liu J, Hopfinger AJ. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis. Molecular Pharmaceutics. 4: 218-31. PMID 17397237 DOI: 10.1021/Mp0600900 |
0.705 |
|
2007 |
Li Y, Tseng YJ, Pan D, Liu J, Kern PS, Gerberick GF, Hopfinger AJ. 4D-fingerprint categorical QSAR models for skin sensitization based on the classification of local lymph node assay measures. Chemical Research in Toxicology. 20: 114-28. PMID 17226934 DOI: 10.1021/Tx6002535 |
0.772 |
|
2004 |
Senese CL, Duca J, Pan D, Hopfinger AJ, Tseng YJ. 4D-fingerprints, universal QSAR and QSPR descriptors. Journal of Chemical Information and Computer Sciences. 44: 1526-39. PMID 15446810 DOI: 10.1021/Ci049898S |
0.732 |
|
2004 |
Pan D, Liu J, Senese C, Hopfinger AJ, Tseng Y. Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis. Journal of Medicinal Chemistry. 47: 3075-88. PMID 15163189 DOI: 10.1021/Jm030586A |
0.688 |
|
2003 |
Liu J, Pan D, Tseng Y, Hopfinger AJ. 4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment. Journal of Chemical Information and Computer Sciences. 43: 2170-9. PMID 14632469 DOI: 10.1021/Ci034142Z |
0.768 |
|
2003 |
Pan D, Tseng Y, Hopfinger AJ. Quantitative structure-based design: formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylase. Journal of Chemical Information and Computer Sciences. 43: 1591-607. PMID 14502494 DOI: 10.1021/Ci0340714 |
0.733 |
|
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