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Journal of Biomolecular Screening|December 20, 2005
A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screeningNathan Brown, Hartmut Zehender, Kamal Azzaoui, et al.
Future Medicinal Chemistry|March 24, 2011
In vitro safety pharmacology profiling: what else beyond hERG?Jacques Hamon, Steven Whitebread, Valerie Techer-Etienne, et al.
Organic & Biomolecular Chemistry|November 10, 2004
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structuresJérôme Hert, Peter Willett, David J Wilton, et al.
Journal of Medicinal Chemistry|October 28, 2005
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor informationJérôme Hert, Peter Willett, David J Wilton, et al.
Journal of Chemical Information and Computer Sciences|May 25, 2004
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structuresJérôme Hert, Peter Willett, David J Wilton, et al.
Journal of Chemical Information and Modeling|March 28, 2006
New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searchingJérôme Hert, Peter Willett, David J Wilton, et al.
Chemmedchem|May 12, 2007
Modeling promiscuity based on in vitro safety pharmacology profiling dataKamal Azzaoui, Jacques Hamon, Bernard Faller, et al.
Expert Opinion on Drug Metabolism & Toxicology|November 28, 2006
High-throughput in vitro profiling assays: lessons learnt from experiences at NovartisBernard Faller, Jianling Wang, Alfred Zimmerlin, et al.
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