Stochastic Algorithms for Maximizing Molecular Diversity
- 1 September 1997
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 37 (5), 841-851
- https://doi.org/10.1021/ci9700337
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- A new method for analyzing protein sequence relationships based on Sammon mapsProtein Science, 1997
- Rapid Quantification of Molecular Diversity for Selective Database AcquisitionJournal of Chemical Information and Computer Sciences, 1997
- The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor BindingJournal of Chemical Information and Computer Sciences, 1997
- Definitions of “Dissimilarity” for Dissimilarity-Based Compound SelectionSLAS 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
- Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” DescriptorsJournal of Medicinal Chemistry, 1996
- Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available CompoundsJournal of Chemical Information and Computer Sciences, 1996
- Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property DataJournal of Chemical Information and Computer Sciences, 1994
- Multivariate Density EstimationWiley Series in Probability and Statistics, 1992
- Hyperdimensional Data Analysis Using Parallel CoordinatesJournal of the American Statistical Association, 1990