Binning schemes for partition-based compound selection
- 1 February 1999
- journal article
- Published by Elsevier in Journal of Molecular Graphics and Modelling
- Vol. 17 (1) , 10-18
- https://doi.org/10.1016/s1093-3263(99)00016-9
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- OptiSim: An Extended Dissimilarity Selection Method for Finding Diverse Representative SubsetsJournal of Chemical Information and Computer Sciences, 1997
- Experimental Designs for Selecting Molecules from Large Chemical DatabasesJournal of Chemical Information and Computer Sciences, 1997
- The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial LibrariesJournal of Chemical Information and Computer Sciences, 1997
- Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular DescriptorsJournal of Medicinal Chemistry, 1997
- Database diversity assessment: new ideas, concepts, and tools.Journal of Computer-Aided Molecular Design, 1997
- Descriptors for diversity analysisPerspectives in Drug Discovery and Design, 1996
- Partition-based selectionPerspectives in Drug Discovery and Design, 1996
- Parameter Based Methods for Compound Selection from Chemical DatabasesQuantitative Structure-Activity Relationships, 1996
- Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” DescriptorsJournal of Medicinal Chemistry, 1996
- Enhancing the diversity of a corporate database using chemical database clustering and analysisJournal of Computer-Aided Molecular Design, 1995