Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
- 1 May 1997
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 37 (3), 443-448
- https://doi.org/10.1021/ci960151e
Abstract
No abstract availableThis publication has 7 references indexed in Scilit:
- 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
- The Properties of Known Drugs. 1. Molecular FrameworksJournal of Medicinal Chemistry, 1996
- Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” DescriptorsJournal of Medicinal Chemistry, 1996
- Protein Structure-Based Drug DesignAnnual Review of Biophysics, 1994
- Clustering of chemical structures on the basis of two-dimensional similarity measuresJournal of Chemical Information and Computer Sciences, 1992
- Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure searchJournal of Chemical Information and Computer Sciences, 1986
- A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural SimilarityQuantitative Structure-Activity Relationships, 1986