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Journal of Chemical Information and Modeling|August 24, 2010
Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rulesMathias Wawer, Jürgen Bajorath
ACS Medicinal Chemistry Letters|June 6, 2014
Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT AnalysisMathias Wawer, Jürgen Bajorath
Current Medicinal Chemistry|September 17, 2009
Extraction of structure-activity relationship information from high-throughput screening dataMathias Wawer, Jürgen Bajorath
Journal of Medicinal Chemistry|March 30, 2011
Local structural changes, global data views: graphical substructure-activity relationship trailingMathias Wawer, Jürgen Bajorath
Journal of Medicinal Chemistry|January 15, 2009
Elucidation of structure-activity relationship pathways in biological screening dataMathias Wawer, Lisa Peltason, Jürgen Bajorath
Journal of Chemical Information and Modeling|March 29, 2011
Rationalizing the role of SAR tolerance for ligand-based virtual screeningPeter Ripphausen, Britta Nisius, Mathias Wawer, et al.
Drug Discovery Today|June 16, 2010
Data structures and computational tools for the extraction of SAR information from large compound setsMathias Wawer, Eugen Lounkine, Anne M Wassermann, et al.
Journal of Chemical Information and Modeling|February 1, 2011
Design of multitarget activity landscapes that capture hierarchical activity cliff distributionsDilyana Dimova, Mathias Wawer, Anne Mai Wassermann, et al.
Journal of Chemical Information and Modeling|January 8, 2010
SARANEA: a freely available program to mine structure-activity and structure-selectivity relationship information in compound data setsEugen Lounkine, Mathias Wawer, Anne Mai Wassermann, et al.
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