| 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 | 701 | 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 | 479 | 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 | 323 | 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 2 (6), 861-873, 2007 | 320 | 2007 |
| 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 | 272 | 2006 |
| 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 | 271 | 2009 |
| 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 | 264 | 2011 |
| 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 | 190 | 2006 |
| 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 | 177 | 2007 |
| 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 | 173 | 2006 |
| 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 | 169 | 2009 |
| 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 | 164 | 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 | 161 | 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 | 143 | 2004 |
| 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 | 128 | 2006 |
| 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 | 121 | 2006 |
| 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 | 120 | 2012 |
| 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 | 117 | 2002 |
| “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 | 116 | 2006 |
| Virtual screening to enrich hit lists from high‐throughput screening: A case study on small‐molecule inhibitors of angiogenin JL Jenkins, RYT Kao, R Shapiro Proteins: Structure, Function, and Bioinformatics 50 (1), 81-93, 2003 | 112 | 2003 |
Andreas BenderReader, University of Cambridge; Team Leader, AstraZenecaBestätigte E-Mail-Adresse bei cam.ac.uk
