Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
- 10 February 1998
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 38 (2) , 305-312
- https://doi.org/10.1021/ci970056l
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Definitions of “Dissimilarity” for Dissimilarity-Based Compound SelectionSLAS Discovery, 1996
- Designing Chemical Libraries for Lead DiscoverySLAS Discovery, 1996
- Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound SelectionJournal of Chemical Information and Computer Sciences, 1996
- Similarity Searching in Databases of Chemical StructuresPublished by Wiley ,1996
- Chemical Similarity Using Geometric Atom Pair DescriptorsJournal of Chemical Information and Computer Sciences, 1996
- Chemical Similarity Using Physiochemical Property DescriptorsJournal of Chemical Information and Computer Sciences, 1996
- Using a Genetic Algorithm To Suggest Combinatorial LibrariesJournal of Chemical Information and Computer Sciences, 1995
- Similarity searching on CAS Registry substances. 2. 2D structural similarityJournal of Chemical Information and Computer Sciences, 1994
- Comparison of QSAR and Molecular Similarity Approaches for a Structure-Activity Relationship Study of DHFR Inhibitors. DHFR Inhibitors: QSAR and Molecular Similarity ApproachesQuantitative Structure-Activity Relationships, 1993
- Atom pairs as molecular features in structure-activity studies: definition and applicationsJournal of Chemical Information and Computer Sciences, 1985