Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets
- 29 October 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 39 (6), 1211-1225
- https://doi.org/10.1021/ci980185h
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Design, Synthesis, and Evaluation of Small-Molecule LibrariesAccounts of Chemical Research, 1996
- Designing Chemical Libraries for Lead DiscoverySLAS Discovery, 1996
- Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)Journal of Chemical Information and Computer Sciences, 1996
- Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single “Topomeric” ConformersJournal of Medicinal Chemistry, 1996
- Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” DescriptorsJournal of Medicinal Chemistry, 1996
- Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and AgrochemicalsJournal of Chemical Information and Computer Sciences, 1995
- Flexible 3D searching: The directed tweak techniqueJournal of Chemical Information and Computer Sciences, 1994
- Clustering of chemical structures on the basis of two-dimensional similarity measuresJournal of Chemical Information and Computer Sciences, 1992
- Comparative molecular field analysis (CoMFA). 2. Toward its use with 3D-structural databasesTetrahedron Computer Methodology, 1990
- ErrataQuantitative Structure-Activity Relationships, 1986