Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database-Reference-Cited by-同舟云学术

Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database

Published:2008-06-01 Issue:6 Volume:48 Page:1190-1198
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Apostolakis Joannis¹,Sacher Oliver¹,Körner Robert¹,Gasteiger Johann¹

Affiliation:

1. Ludwig-Maximilians-Universität München, Institut für Informatik, Amalienstrasse 17, 80333 München, Germany, Molecular Networks GmbH, Henkestrasse 91, 91052 Erlangen, Germany, and Computer-Chemie-Centrum, Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci700433d

Reference26 articles.

1. Query Generation to Search for Inhibitors of Enzymatic Reactions

2. Körner, R.; Apostolakis, J.Automatic Determination of Reaction Mappings and Reaction Center Information: The Imaginary Transition State Energy approach.J. Chem. Inf. Model.2008,48, 1181−1189.

3. Enabling the exploration of biochemical pathways

4. The BioPath database is accessible on the internet at the following address:http://www.molecular-networks.com/biopath/index.html(accessed November 16, 2007) .

5. Biochemical Pathways Wall Chart, Michal, G., Ed.; Boehringer Mannheim (now Roche), Germany. It can also be accessed on the internet athttp://www.expasy.org/tools/pathways/(accessed November 16, 2007) .

Cited by 28 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A knowledge-driven approach for automatic generation of reaction networks of methanol-to-olefins process;Chemical Engineering Science;2024-02

2. Benchmarking machine-readable vectors of chemical reactions on computed activation barriers;Digital Discovery;2024

3. Extraction of organic chemistry grammar from unsupervised learning of chemical reactions;Science Advances;2021-04-09

4. Machine Learning Guided Atom Mapping of Metabolic Reactions;Journal of Chemical Information and Modeling;2018-11-30

5. Representation of Chemical Reactions;Chemoinformatics;2018-06-22