My Chromosomes
Next talks:
Second Strasbourg Summer School on Chemoinformatics
Obernai, France, 20-24 June 2010
Bio-IT World 2010
Boston/MA, 20-22 April 2010
British Toxicology Society Annual Meeting 2010
Edinburgh, 28-31 March 2010
In silico discovery of molecular probes and drug-like compounds: Success & Challenges
Ile de France, France, 23-25 March 2010
Fragment-Based Lead Design 2009
York/UK, 20-23 September 2009
DrugInfoMeet
Cochin/India, 19-21 August 2009
Bio-IT World Conference & Expo
Boston/USA, 27-29 April 2009
Addis Ababa University
Addis Ababa/Ethiopia, 9 January 2009
MIPTEC '08
Basel/Switzerland, 14-16 October 2008
Virtual Discovery Europe
Amsterdam/The Netherlands, 19-20 June 2008
8th International Conference on Chemical Structures
Noordwijkerhout/The Netherlands, 1-5 June 2008
Bio-IT World Conference & Expo
Boston/USA, 28-30 April 2008
6th Annual Congress: G Protein-Coupled Receptors in Drug Discovery
Berlin/Germany, 10-13 March 2008
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Recent publications (More Publications)
 61. Alpha Shapes Applied to Molecular Shape Characterization Exhibit Novel Properties Compared to Established Shape Descriptors.
J. Anthony Wilson, Andreas Bender, Taner Kaya and Paul A. Clemons, J. Chem. Inf. Model. 2009 (in press)
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60. Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure.
Jose L. Medina-Franco, Karina Martínez-Mayorga, Andreas Bender and Thomas Scior, QSAR Comb. Sci. 2009 (in press)
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59. Predicting the functions of proteins in PPI networks from global information.
Hossein Rahmani, Hendrik Blockeel, and Andreas Bender., Proc. 3rd Int. Workshop in Machine Learn. Syst. Biol. (MLSB09) 2009 85 – 94.
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58. Multi-parameter Phenotypic Profiling: Characterization of Small-molecule Compounds Based on Their Effects on Cells.
Yan Feng, Timothy J. Mitchison, Andreas Bender, Daniel W. Young and John A. Tallarico, Nature Rev. Drug Discov. 2009 (in press)
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57. Mapping Adverse Drug Reactions in Chemical Space.
Josef Scheiber et al., J. Med. Chem. 2009 (52) 3103 - 3107.
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56. Knowledge-based and computational approaches based on in vitro safety pharmacology
Josef Scheiber, Andreas Bender, Kamal Azzaoui and Jeremy Jenkins, In: In: Hit and Lead Profiling, Wiley/VCH, Bernard Faller and Laszlo Urban (Ed.) 2009 (in press)Chem. Commun. 2009 (in press)
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55. Enhancing Search Space Diversity in Multi-Objective Evolutionary Drug Molecule Design using Niching.
Johannes W. Kruisselbrink et al., Proc. Gen. Evol. Comput. Conf., GECCO-2009. 2009 (in press)
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54. Chemogenomics: Looking at Biology through the Lens of Chemistry.
Munikumar R. Doddareddy et al., Stat. Anal. Data Mining 2009 (in press)
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53. Plate-Based Diversity Selection Based on Empirical HTS Data to Enhance the Number of Hits and Their Chemical Diversity.
Sai Chetan K. Sukuru et al., J. Biomol. Scr. 2009 (in press)
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52. The discovery of antibacterial agents using diversity-oriented synthesis.
Warren R. J. D. Galloway, Andreas Bender, Martin Welch and David R. Spring, Chem. Commun. 2009 (in press)
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51. Fishing the target of Antitubercular Compounds: In silico target deconvolution model development and validation.
Philip Prathipati, Ngai Ma, Ujjini Manjunatha and Andreas Bender, J. Proteome Res. 2009 (in press).
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50. Use of Ligand Based Models for Protein Domains To Predict Novel Molecular Targets and Applications To Triage Affinity Chromatography Data.
Andreas Bender, et al., J. Proteome Res. 2009 (in press).
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49. SPREAD – Exploiting chemical features that cause differential activity behaviour
Josef Scheiber, et al., Stat. Anal. Data Mining 2009 (in press).
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48. Combining Aggregation with Pareto Optimization: A Case Study in Evolutionary Molecular Design.
Johannes W. Kruisselbrink, Michael T.M. Emmerich, Thomas Back, Andreas Bender, Ad P. IJzerman and Eelke van der Horst, Proceedings of EMO’09 (Lect. Notes Comput. Sci.) 2009 (in press).
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47. How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space
Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick and John W. Davies, J. Chem. Inf. Model 2009 (49) 108 - 119.
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46. Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis
Josef Scheiber et al., J. Chem. Inf. Model 2009 (49) 308 - 317.
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45. Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
Jose L. Medina-Franco et al., J. Chem. Inf. Model 2009 (49) 477 - 491.
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44. Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner
Eelke van der Horst, Yasushi Okuno, Andreas Bender and Adriaan P. IJzerman, J. Chem. Inf. Model 2009 (49) 348 – 360.
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43. Computational Methods to
Support High-Content Screening: From Compound Selection and Data
Analysis to Postulating Target Hypotheses
Anne Kümmel, Daniela Gabriel, Christian N. Parker and Andreas Bender, Exp. Op. Drug Discov. 2009 (4) 5-13.
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42. A Scenario Implementation in R for SubtypeDiscovery Examplified on Chemoinformatics Data
Fabrice Colas et al., Comm. Comp. Inf. Sci. 2009 (17) 669-683.
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More Publications
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