S Joshua Swamidass
S Joshua Swamidass
Associate Professor of Pathology and Immunology, Washington University in St. Louis
Geverifieerd e-mailadres voor wustl.edu - Homepage
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Opportunities and obstacles for deep learning in biology and medicine
T Ching, DS Himmelstein, BK Beaulieu-Jones, AA Kalinin, BT Do, ...
Journal of The Royal Society Interface 15 (141), 20170387, 2018
8112018
Graph kernels for chemical informatics
L Ralaivola, SJ Swamidass, H Saigo, P Baldi
Neural networks 18 (8), 1093-1110, 2005
4702005
A survey of current trends in computational drug repositioning
J Li, S Zheng, B Chen, AJ Butte, SJ Swamidass, Z Lu
Briefings in bioinformatics 17 (1), 2-12, 2016
3152016
Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity
SJ Swamidass, J Chen, J Bruand, P Phung, L Ralaivola, P Baldi
Bioinformatics 21 (suppl_1), i359-i368, 2005
2142005
ChemDB: a public database of small molecules and related chemoinformatics resources
J Chen, SJ Swamidass, Y Dou, J Bruand, P Baldi
Bioinformatics 21 (22), 4133-4139, 2005
1872005
Open source drug discovery with the malaria box compound collection for neglected diseases and beyond
WC Van Voorhis, JH Adams, R Adelfio, V Ahyong, MH Akabas, P Alano, ...
PLoS pathogens 12 (7), e1005763, 2016
1812016
XenoSite: accurately predicting CYP-mediated sites of metabolism with neural networks
J Zaretzki, M Matlock, SJ Swamidass
Journal of chemical information and modeling 53 (12), 3373-3383, 2013
1332013
Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis
TW Lin, MM Melgar, D Kurth, SJ Swamidass, J Purdon, T Tseng, G Gago, ...
Proceedings of the National Academy of Sciences 103 (9), 3072-3077, 2006
1222006
ChemDB update—full-text search and virtual chemical space
JH Chen, E Linstead, SJ Swamidass, D Wang, P Baldi
Bioinformatics 23 (17), 2348-2351, 2007
1172007
A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval
SJ Swamidass, CA Azencott, K Daily, P Baldi
Bioinformatics 26 (10), 1348-1356, 2010
1112010
Modeling epoxidation of drug-like molecules with a deep machine learning network
TB Hughes, GP Miller, SJ Swamidass
ACS central science 1 (4), 168-180, 2015
1052015
Mathematical correction for fingerprint similarity measures to improve chemical retrieval
SJ Swamidass, P Baldi
Journal of chemical information and modeling 47 (3), 952-964, 2007
962007
Bounds and algorithms for fast exact searches of chemical fingerprints in linear and sublinear time
SJ Swamidass, P Baldi
Journal of chemical information and modeling 47 (2), 302-317, 2007
952007
Mining small-molecule screens to repurpose drugs
SJ Swamidass
Briefings in bioinformatics 12 (4), 327-335, 2011
802011
One-to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties
CA Azencott, A Ksikes, SJ Swamidass, JH Chen, L Ralaivola, P Baldi
Journal of chemical information and modeling 47 (3), 965-974, 2007
782007
Discovery of power-laws in chemical space
RW Benz, SJ Swamidass, P Baldi
Journal of chemical information and modeling 48 (6), 1138-1151, 2008
632008
Modeling reactivity to biological macromolecules with a deep multitask network
TB Hughes, NL Dang, GP Miller, SJ Swamidass
ACS central science 2 (8), 529-537, 2016
582016
Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione
TB Hughes, GP Miller, SJ Swamidass
Chemical research in toxicology 28 (4), 797-809, 2015
572015
Lossless compression of chemical fingerprints using integer entropy codes improves storage and retrieval
P Baldi, RW Benz, DS Hirschberg, SJ Swamidass
Journal of chemical information and modeling 47 (6), 2098-2109, 2007
532007
Functional census of mutation sequence spaces: the example of p53 cancer rescue mutants
SA Danziger, SJ Swamidass, J Zeng, LR Dearth, Q Lu, JH Chen, J Cheng, ...
IEEE/ACM transactions on computational biology and bioinformatics 3 (2), 114-125, 2006
512006
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Artikelen 1–20