☰

S. J. Swamidass, Ph.D. - Publications

Affiliations: 
2007 University of California, Irvine, Irvine, CA 
Tree Info Similar researchers PubMed Report error

23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Flynn N, Dang NL, Ward M, Swamidass SJ. XenoNet: Inference and Likelihood of Intermediate Metabolite Formation. Journal of Chemical Information and Modeling. PMID 32525671 DOI: 10.1021/acs.jcim.0c00361  0.309
2016 Hughes TB, Dang NL, Miller GP, Swamidass SJ. Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network. Acs Central Science. 2: 529-37. PMID 27610414 DOI: 10.1021/Acscentsci.6B00162  0.305
2014 Ekins S, Clark AM, Swamidass SJ, Litterman N, Williams AJ. Bigger data, collaborative tools and the future of predictive drug discovery. Journal of Computer-Aided Molecular Design. 28: 997-1008. PMID 24943138 DOI: 10.1007/s10822-014-9762-y  0.3
2014 Swamidass SJ, Schillebeeckx CN, Matlock M, Hurle MR, Agarwal P. Combined Analysis of Phenotypic and Target-Based Screening in Assay Networks. Journal of Biomolecular Screening. 19: 782-790. PMID 24563424 DOI: 10.1177/1087057114523068  0.303
2014 Matlock M, Swamidass SJ. Sharing chemical relationships does not reveal structures. Journal of Chemical Information and Modeling. 54: 37-48. PMID 24289228 DOI: 10.1021/ci400399a  0.382
2013 Matlock MK, Zaretzki JM, Swamidass SJ. Scaffold network generator: a tool for mining molecular structures. Bioinformatics (Oxford, England). 29: 2655-6. PMID 23918250 DOI: 10.1093/bioinformatics/btt448  0.303
2011 Ranu S, Calhoun BT, Singh AK, Swamidass SJ. Probabilistic Substructure Mining From Small-Molecule Screens. Molecular Informatics. 30: 809-15. PMID 27467413 DOI: 10.1002/Minf.201100058  0.342
2011 Swamidass SJ. Mining small-molecule screens to repurpose drugs. Briefings in Bioinformatics. 12: 327-35. PMID 21715466 DOI: 10.1093/bib/bbr028  0.314
2011 Baldi P, Azencott C, Swamidass SJ. Bridging the gap between neural network and kernel methods: Applications to drug discovery Frontiers in Artificial Intelligence and Applications. 226: 3-13. DOI: 10.3233/978-1-60750-692-8-3  0.668
2010 Swamidass SJ, Azencott CA, Daily K, Baldi P. A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval. Bioinformatics (Oxford, England). 26: 1348-56. PMID 20378557 DOI: 10.1093/Bioinformatics/Btq140  0.691
2009 Nasr RJ, Swamidass SJ, Baldi PF. Large scale study of multiple-molecule queries. Journal of Cheminformatics. 1: 7. PMID 20298525 DOI: 10.1186/1758-2946-1-7  0.7
2009 Swamidass SJ, Azencott CA, Lin TW, Gramajo H, Tsai SC, Baldi P. Influence relevance voting: an accurate and interpretable virtual high throughput screening method. Journal of Chemical Information and Modeling. 49: 756-66. PMID 19391629 DOI: 10.1021/Ci8004379  0.72
2008 Benz RW, Swamidass SJ, Baldi P. Discovery of power-laws in chemical space. Journal of Chemical Information and Modeling. 48: 1138-51. PMID 18522387 DOI: 10.1021/Ci700353M  0.431
2007 Baldi P, Benz RW, Hirschberg DS, Swamidass SJ. Lossless compression of chemical fingerprints using integer entropy codes improves storage and retrieval. Journal of Chemical Information and Modeling. 47: 2098-109. PMID 17967006 DOI: 10.1021/Ci700200N  0.476
2007 Chen JH, Linstead E, Swamidass SJ, Wang D, Baldi P. ChemDB update--full-text search and virtual chemical space. Bioinformatics (Oxford, England). 23: 2348-51. PMID 17599932 DOI: 10.1093/Bioinformatics/Btm341  0.726
2007 Swamidass SJ, Baldi P. Mathematical correction for fingerprint similarity measures to improve chemical retrieval. Journal of Chemical Information and Modeling. 47: 952-64. PMID 17444629 DOI: 10.1021/Ci600526A  0.491
2007 Azencott CA, Ksikes A, Swamidass SJ, Chen JH, Ralaivola L, Baldi P. One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties. Journal of Chemical Information and Modeling. 47: 965-74. PMID 17338509 DOI: 10.1021/Ci600397P  0.734
2007 Swamidass SJ, Baldi P. Bounds and algorithms for fast exact searches of chemical fingerprints in linear and sublinear time. Journal of Chemical Information and Modeling. 47: 302-17. PMID 17326616 DOI: 10.1021/Ci600358F  0.552
2006 Danziger SA, Swamidass SJ, Zeng J, Dearth LR, Lu Q, Chen JH, Cheng J, Hoang VP, Saigo H, Luo R, Baldi P, Brachmann RK, Lathrop RH. Functional census of mutation sequence spaces: the example of p53 cancer rescue mutants. Ieee/Acm Transactions On Computational Biology and Bioinformatics / Ieee, Acm. 3: 114-25. PMID 17048398 DOI: 10.1109/Tcbb.2006.22  0.508
2006 Lin TW, Melgar MM, Kurth D, Swamidass SJ, Purdon J, Tseng T, Gago G, Baldi P, Gramajo H, Tsai SC. Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis. Proceedings of the National Academy of Sciences of the United States of America. 103: 3072-7. PMID 16492739 DOI: 10.1073/Pnas.0510580103  0.378
2005 Chen J, Swamidass SJ, Dou Y, Bruand J, Baldi P. ChemDB: a public database of small molecules and related chemoinformatics resources. Bioinformatics (Oxford, England). 21: 4133-9. PMID 16174682 DOI: 10.1093/Bioinformatics/Bti683  0.699
2005 Ralaivola L, Swamidass SJ, Saigo H, Baldi P. Graph kernels for chemical informatics. Neural Networks : the Official Journal of the International Neural Network Society. 18: 1093-110. PMID 16157471 DOI: 10.1016/J.Neunet.2005.07.009  0.551
2005 Swamidass SJ, Chen J, Bruand J, Phung P, Ralaivola L, Baldi P. Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity. Bioinformatics (Oxford, England). 21: i359-68. PMID 15961479 DOI: 10.1093/Bioinformatics/Bti1055  0.655
Show low-probability matches.