Jeremy L. Jenkins
Jeremy L. Jenkins
Head, Data Science, Novartis Institutes for BioMedical Research
Verified email at novartis.com - Homepage
Title
Cited by
Cited by
Year
Large-scale prediction and testing of drug activity on side-effect targets
E Lounkine, MJ Keiser, S Whitebread, D Mikhailov, J Hamon, JL Jenkins, ...
Nature, 2012
6652012
Structure of the DDB1–CRBN E3 ubiquitin ligase in complex with thalidomide
ES Fischer, K Böhm, JR Lydeard, H Yang, MB Stadler, S Cavadini, ...
Nature 512 (7512), 49-53, 2014
4182014
Analysis of pharmacology data and the prediction of adverse drug reactions and off‐target effects from chemical structure
A Bender, J Scheiber, M Glick, JW Davies, K Azzaoui, J Hamon, L Urban, ...
ChemMedChem 2 (6), 861-873, 2007
3122007
Integrating high-content screening and ligand-target prediction to identify mechanism of action
DW Young, A Bender, J Hoyt, E McWhinnie, GW Chirn, CY Tao, ...
Nature chemical biology 4 (1), 59-68, 2008
3112008
Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases
Nidhi,†, M Glick, JW Davies, JL Jenkins
Journal of chemical information and modeling 46 (3), 1124-1133, 2006
2632006
How similar are similarity searching methods? A principal component analysis of molecular descriptor space
A Bender, JL Jenkins, J Scheiber, SCK Sukuru, M Glick, JW Davies
Journal of chemical information and modeling 49 (1), 108-119, 2009
2622009
From in silico target prediction to multi-target drug design: Current databases, methods and applications
A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, ...
Journal of proteomics 74 (12), 2554-2574, 2011
2482011
Bridging chemical and biological space:“target fishing” using 2D and 3D molecular descriptors
JH Nettles, JL Jenkins, A Bender, Z Deng, JW Davies, M Glick
Journal of medicinal chemistry 49 (23), 6802-6810, 2006
1822006
Modeling promiscuity based on in vitro safety pharmacology profiling data
K Azzaoui, J Hamon, B Faller, S Whitebread, E Jacoby, A Bender, ...
ChemMedChem: Chemistry Enabling Drug Discovery 2 (6), 874-880, 2007
1722007
Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis
J Scheiber, B Chen, M Milik, SCK Sukuru, A Bender, D Mikhailov, ...
Journal of chemical information and modeling 49 (2), 308-317, 2009
1672009
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
Drug Discovery Today: Technologies 3 (4), 413-421, 2006
1662006
Mapping adverse drug reactions in chemical space
J Scheiber, JL Jenkins, SCK Sukuru, A Bender, D Mikhailov, M Milik, ...
Journal of medicinal chemistry 52 (9), 3103-3107, 2009
1602009
Bivalent sequential binding model of a Bacillus thuringiensis toxin to gypsy moth aminopeptidase N receptor
JL Jenkins, MK Lee, AP Valaitis, A Curtiss, DH Dean
Journal of Biological Chemistry 275 (19), 14423-14431, 2000
1542000
A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes
JL Jenkins, M Glick, JW Davies
Journal of medicinal chemistry 47 (25), 6144-6159, 2004
1412004
Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian …
M Glick, JL Jenkins, JH Nettles, H Hitchings, JW Davies
Journal of chemical information and modeling 46 (1), 193-200, 2006
1252006
Streamlining lead discovery by aligning in silico and high-throughput screening
JW Davies, M Glick, JL Jenkins
Current opinion in chemical biology 10 (4), 343-351, 2006
1192006
A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity
RYT Kao, JL Jenkins, KA Olson, ME Key, JW Fett, R Shapiro
Proceedings of the National Academy of Sciences 99 (15), 10066-10071, 2002
1162002
Rethinking molecular similarity: comparing compounds on the basis of biological activity
PM Petrone, B Simms, F Nigsch, E Lounkine, P Kutchukian, A Cornett, ...
ACS chemical biology 7 (8), 1399-1409, 2012
1132012
“Bayes affinity fingerprints” improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?
A Bender, JL Jenkins, M Glick, Z Deng, JH Nettles, JW Davies
Journal of chemical information and modeling 46 (6), 2445-2456, 2006
1112006
Chemogenomic data analysis: Prediction of small-molecule targets and the advent of biological fingerprints
A Bender, DW Young, JL Jenkins, M Serrano, D Mikhailov, PA Clemons, ...
Combinatorial chemistry & high throughput screening 10 (8), 719-731, 2007
1102007
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