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Publications by Dr Andreas Bender

Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner.
E van der Horst, Y Okuno, A Bender, AP IJzerman
– J Chem Inf Model
(2009)
49,
348
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, S Whitebread, J Hamon, K Azzaoui, L Urban, M Glick, JW Davies, JL Jenkins
– J Chem Inf Model
(2009)
49,
308
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
JL Medina-Franco, K Martínez-Mayorga, A Bender, RM Marín, MA Giulianotti, C Pinilla, RA Houghten
– J Chem Inf Model
(2009)
49,
477
Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis.
J Scheiber, B Chen, M Milik, SC Sukuru, A Bender, D Mikhailov, S Whitebread, J Hamon, K Azzaoui, L Urban, M Glick, JW Davies, JL Jenkins
– J Chem Inf Model
(2009)
49,
308
Enhancing search space diversity in multi-objective evolutionary drug molecule design using niching
JW Kruisselbrink, A Aleman, MTM Emmerich, AP IJzerman, A Bender, T Bäck, E Van Der Horst
– Proceedings of the 11th Annual Genetic and Evolutionary Computation Conference, GECCO-2009
(2009)
217
Computational methods to support high-content screening: from compound selection and data analysis to postulating target hypotheses
A Kümmel, D Gabriel, CN Parker, A Bender
– Expert Opinion on Drug Discovery
(2009)
4,
5
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
– J Chem Inf Model
(2009)
49,
108
SPREAD-exploiting chemical features that cause differential activity behavior
J Scheiber, JL Jenkins, A Bender, M Milik, D Mikhailov, SCK Sukuru, B Cornett, S Whitebread, L Urban, JW Davies, M Glick
– Statistical Analysis and Data Mining
(2009)
2,
115
A quantitative bgl operon model for E. coli requires bglF conformational change for sugar transport
P Chopra, A Bender
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2009)
5121 LNBI,
1
Frequent substructure mining of GPCR ligands
EVD Horst, A Bender, AP Ijzerman
– Chemistry Central Journal
(2009)
3,
P69
Chemogenomics: Looking at biology through the lens of chemistry
MR Doddareddy, GJP van Westen, E van der Horst, JE Peironcely, F Corthals, AP Ijzerman, M Emmerich, JL Jenkins, A Bender
– Statistical Analysis and Data Mining
(2009)
2,
149
Combining aggregation with Pareto optimization: A case study in evolutionary molecular design
JW Kruisselbrink, MTM Emmerich, T Back, A Bender, AP IJzerman, E van der Horst
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2010)
5467,
453
Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics.
F Nigsch, A Bender, JL Jenkins, JBO Mitchell
– J Chem Inf Model
(2008)
48,
2313
COMP 86-"Virtual Fragment Linking": An approach to identify potent binders from low affinity fragment hits
TJ Crisman, A Bender, M Milik, JL Jenkins, J Scheiber, SCK Sukuru, J Fejzo, U Hommel, JW Davies, M Glick
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
236,
Which aspects of HTS are empirically correlated with downstream success?
A Bender, D Bojanic, JW Davies, TJ Crisman, D Mikhailov, J Scheiber, JL Jenkins, Z Deng, WAG Hill, M Popov, E Jacoby, M Glick
– Current Opinion in Drug Discovery and Development
(2008)
11,
327
"Virtual fragment linking": An approach to identify potent binders from low affinity fragment hits
TJ Crisman, A Bender, M Milik, JL Jenkins, J Scheiber, SCK Sukuru, J Fejzo, U Hommel, JW Davies, M Glick
– J Med Chem
(2008)
51,
2481
Diversity-oriented synthesis; A spectrum of approaches and results
RJ Spandl, A Bender, DR Spring
– Org Biomol Chem
(2008)
6,
1149
Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.
M Karthikeyan, S Krishnan, AK Pandey, A Bender, A Tropsha
– J Chem Inf Model
(2008)
48,
691
Integrating high-content screening and ligand-target prediction to identify mechanism of action.
DW Young, A Bender, J Hoyt, E McWhinnie, G-W Chirn, CY Tao, JA Tallarico, M Labow, JL Jenkins, TJ Mitchison, Y Feng
– Nature Chemical Biology
(2008)
4,
59
A Scenario Implementation in R for SubtypeDiscovery Examplified on Chemoinformatics Data
F Colas, I Meulenbelt, JJ Houwing-Duistermaat, M Kloppenburg, I Watt, SA van Rooden, M Visser, J Marinus, EO Cannon, A Bender, JJ van Hilten, PE Slagboom, JN Kok
– Communications in Computer and Information Science
(2008)
17,
669

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