Chemical Similarity Using Geometric Atom Pair Descriptors-Reference-Cited by-同舟云学术

Chemical Similarity Using Geometric Atom Pair Descriptors

Published:1996-01-01 Issue:1 Volume:36 Page:128-136
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Sheridan Robert P.¹,Miller Michael D.¹,Underwood Dennis J.¹,Kearsley Simon K.¹

Affiliation:

1. Department of Molecular Design and Diversity, Merck Research Laboratories, P.O. Box 2000, Rahway, New Jersey 07065, and Sumneytown Pike, West Point, Pennsylvania 19486

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/ci950275b

Reference21 articles.

1. Comparison of conformations of small molecule structures from the Protein Data Bank with those generated by Concord, Cobra, ChemDBS-3D, and Converter and those extracted from the Cambridge Structural Database

2. CONCORD and CAMBRIDGE: comparison of computer generated chemical structures with x-ray crystallographic data

3. Chem-X and CAMBRIDGE. Comparison of computer generated chemical structures with x-ray crystallographic data

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