| Molecular similarity: a key technique in molecular informatics A Bender, RC Glen Organic & biomolecular chemistry 2 (22), 3204-3218, 2004 | 533 | 2004 |
| A community effort to assess and improve drug sensitivity prediction algorithms JC Costello, LM Heiser, E Georgii, M Gönen, MP Menden, NJ Wang, ... Nature biotechnology 32 (12), 1202-1212, 2014 | 496 | 2014 |
| Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance A Bender, HY Mussa, RC Glen, S Reiling Journal of chemical information and computer sciences 44 (5), 1708-1718, 2004 | 335 | 2004 |
| Recognizing pitfalls in virtual screening: a critical review T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ... Journal of chemical information and modeling 52 (4), 867-881, 2012 | 331 | 2012 |
| Diversity-oriented synthesis; a spectrum of approaches and results RJ Spandl, A Bender, DR Spring Organic & biomolecular chemistry 6 (7), 1149-1158, 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: Chemistry Enabling Drug Discovery 2 (6), 861-873, 2007 | 322 | 2007 |
| 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 | 320 | 2008 |
| Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ... Journal of computer-aided molecular design 25 (6), 533-554, 2011 | 316 | 2011 |
| Molecular similarity searching using atom environments, information-based feature selection, and a naive Bayesian classifier A Bender, HY Mussa, RC Glen, S Reiling Journal of chemical information and computer sciences 44 (1), 170-178, 2004 | 294 | 2004 |
| Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds Y Feng, TJ Mitchison, A Bender, DW Young, JA Tallarico Nature Reviews Drug Discovery 8 (7), 567-578, 2009 | 277 | 2009 |
| 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 | 269 | 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 | 265 | 2011 |
| Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms J Kirchmair, MJ Williamson, JD Tyzack, L Tan, PJ Bond, A Bender, ... Journal of chemical information and modeling 52 (3), 617-648, 2012 | 258 | 2012 |
| 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 | 187 | 2006 |
| A community computational challenge to predict the activity of pairs of compounds M Bansal, J Yang, C Karan, MP Menden, JC Costello, H Tang, G Xiao, ... Nature biotechnology 32 (12), 1213-1222, 2014 | 182 | 2014 |
| 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 | 176 | 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 | 171 | 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 | 167 | 2009 |
| A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication A Bender, RC Glen Journal of chemical information and modeling 45 (5), 1369-1375, 2005 | 167 | 2005 |
robert c. glenCambridge University and Imperial College LondonVerified email at cam.ac.uk
