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Publications by Dr Andreas Bender

Predicting the functions of proteins in Protein-Protein Interaction networks from global information
H Rahmani, H Blockeel, A Bender
– PROCEEDINGS OF THE THIRD INTERNATIONAL WORKSHOP ON MACHINE LEARNING IN SYSTEMS BIOLOGY
(2010)
8,
82
Scaffold Diversity Analysis of Compound Daft Sets Using an Entropy-Based Measure
JL Medina-Franco, K Martinez-Mayorga, A Bender, T Scior
– QSAR & Combinatorial Science
(2009)
28,
1551
Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors.
JA Wilson, A Bender, T Kaya, PA Clemons
– J Chem Inf Model
(2009)
49,
2231
Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds
Y Feng, TJ Mitchison, A Bender, DW Young, JA Tallarico
– Nat Rev Drug Discov
(2009)
8,
567
Plate-Based Diversity Selection Based on Empirical HTS Data to Enhance the Number of Hits and Their Chemical Diversity
SCK Sukuru, JL Jenkins, REJ Beckwith, J Scheiber, A Bender, D Mikhailov, JW Davies, M Glick
– Journal of Biomolecular Screening
(2009)
14,
690
Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation.
P Prathipati, NL Ma, UH Manjunatha, A Bender
– Journal of Proteome Research
(2009)
8,
2788
Mapping adverse drug reactions in chemical space.
J Scheiber, JL Jenkins, SCK Sukuru, A Bender, D Mikhailov, M Milik, K Azzaoui, S Whitebread, J Hamon, L Urban, M Glick, JW Davies
– J Med Chem
(2009)
52,
3103
The discovery of antibacterial agents using diversity-oriented synthesis
WRJD Galloway, A Bender, M Welch, DR Spring
– Chemical communications (Cambridge, England)
(2009)
2446
Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data.
A Bender, D Mikhailov, M Glick, J Scheiber, JW Davies, S Cleaver, S Marshall, JA Tallarico, E Harrington, I Cornella-Taracido, JL Jenkins
– Journal of Proteome Research
(2009)
8,
2575
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
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
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
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
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
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
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
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
Frequent substructure mining of GPCR ligands
EVD Horst, A Bender, AP Ijzerman
– Chemistry Central Journal
(2009)
3,
P69

Pages