Andreas Bender
Andreas Bender
Reader for Molecular Informatics, University of Cambridge
Verified email at cam.ac.uk - Homepage
TitleCited byYear
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
Organic & biomolecular chemistry 2 (22), 3204-3218, 2004
4842004
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, 2014
3562014
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
3202004
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
3082007
Diversity-oriented synthesis; a spectrum of approaches and results
RJ Spandl, A Bender, DR Spring
Organic & biomolecular chemistry 6 (7), 1149-1158, 2008
3012008
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, 2008
2922008
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
2892012
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
2802004
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, 2009
2562009
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
2472009
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
2452011
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
2342011
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
2292012
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
1782006
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
1702007
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
1622009
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
1562006
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
1542005
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
1522009
Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs
JL Medina-Franco, K Martínez-Mayorga, A Bender, RM Marín, ...
Journal of chemical information and modeling 49 (2), 477-491, 2009
1422009
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Articles 1–20