Andreas Bender
Andreas Bender
University of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai
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Citado por
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
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
Organic & biomolecular chemistry 2 (22), 3204-3218, 2004
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, 533-554, 2011
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
DeepSynergy: predicting anti-cancer drug synergy with Deep Learning
K Preuer, RPI Lewis, S Hochreiter, A Bender, KC Bulusu, G Klambauer
Bioinformatics 34 (9), 1538-1546, 2018
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
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
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
Diversity-oriented synthesis; a spectrum of approaches and results
RJ Spandl, A Bender, DR Spring
Organic & biomolecular chemistry 6 (7), 1149-1158, 2008
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
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
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
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
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
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
Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME
RC Glen, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith
IDrugs 9 (3), 199, 2006
Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization
F Nigsch, A Bender, B van Buuren, J Tissen, E Nigsch, JBO Mitchell
Journal of chemical information and modeling 46 (6), 2412-2422, 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
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet
A Bender, I Cortés-Ciriano
Drug discovery today 26 (2), 511-524, 2021
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
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