| 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 | 809 | 2012 |
| 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 | 768 | 2014 |
| 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 | 364 | 2008 |
| 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: Chemistry Enabling Drug Discovery 2 (6), 861-873, 2007 | 357 | 2007 |
| 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 | 313 | 2011 |
| 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 | 310 | 2009 |
| 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 | 305 | 2006 |
| 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 | 204 | 2006 |
| 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 | 191 | 2006 |
| 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 | 188 | 2009 |
| 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 | 186 | 2007 |
| 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 | 180 | 2009 |
| 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 | 172 | 2000 |
| 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 | 149 | 2004 |
| 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 | 147 | 2012 |
| 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 | 137 | 2006 |
| Phenotypic landscape of intestinal organoid regeneration I Lukonin, D Serra, L Challet Meylan, K Volkmann, J Baaten, R Zhao, ... Nature 586 (7828), 275-280, 2020 | 135 | 2020 |
| 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 | 134 | 2006 |
| Identifying compound efficacy targets in phenotypic drug discovery M Schirle, JL Jenkins Drug discovery today 21 (1), 82-89, 2016 | 132 | 2016 |
| 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 | 132 | 2002 |
Andreas BenderProfessor for Molecular Informatics in CambridgeVerified email at cam.ac.uk
