A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds-Reference-Cited by-同舟云学术

A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds

Published:2001-09-29 Issue:6 Volume:41 Page:1437-1445
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Dury Laurent¹,Latour Thibaud¹,Leherte Laurence¹,Barberis Frédéric¹,Vercauteren Daniel P.¹

Affiliation:

1. Laboratoire de Physico-Chimie Informatique and Laboratoire de Chimie Organique de Synthèse, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur, Belgium

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/ci000401y

Reference12 articles.

1. Computer-Assisted Design of Complex Organic Syntheses

2. Status and future developments of reaction databases and online retrieval systems

3. CASREACT: more than a million reactions

4. ChemInform - an integrated information system on chemical reactions

5. The Beilstein Information System is not a reaction database, or is it?

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