Reoptimization of MDL Keys for Use in Drug Discovery-Reference-Cited by-同舟云学术

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Reoptimization of MDL Keys for Use in Drug Discovery

Published:2002-09-14 Issue:6 Volume:42 Page:1273-1280
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Durant Joseph L.¹,Leland Burton A.¹,Henry Douglas R.¹,Nourse James G.¹

Affiliation:

1. MDL Information Systems, 14600 Catalina Street, San Leandro, California 94577

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci010132r

Reference30 articles.

1. Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors

2. Diversity assessment

3. Rapid Quantification of Molecular Diversity for Selective Database Acquisition

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