Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs-Reference-Cited by-同舟云学术

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Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs

Published:2001-01-01 Issue:1 Volume:41 Page:181-185
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Xu Yong-jin¹,Johnson Mark¹

Affiliation:

1. Pharmacia Corporation, 301 Henrietta Street, Kalamazoo, Michigan 49007

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/ci0003911

Reference18 articles.

1. The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.

2. The Properties of Known Drugs. 1. Molecular Frameworks

3. (a) Johnson, M.Advances in Molecular Similarity; JAI Press Inc. London, 1998; Vol. 2 (Browsable Structure−Activity Datasets), p 153.

4. A ring-based chemical structural query system: use of a novel ring-complexity heuristic

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