Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs-Reference-Cited by-同舟云学术

Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs

Published:2007-02-20 Issue:2 Volume:47 Page:354-366
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Gardiner Eleanor J.¹,Gillet Valerie J.¹,Willett Peter¹,Cosgrove David A.¹

Affiliation:

1. Department of Information Studies, University of Sheffield, 211 Portobello St., Regent Court, Sheffield, United Kingdom, and AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, United Kingdom

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/ci600444g

Reference26 articles.

1. Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds

2. Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm

3. A Robust Clustering Method for Chemical Structures

4. HierS: Hierarchical Scaffold Clustering Using Topological Chemical Graphs

Cited by 38 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. Reaction rebalancing: a novel approach to curating reaction databases;Journal of Cheminformatics;2024-07-19

2. Chemical Similarity and Substructure Searches;Reference Module in Life Sciences;2024

3. Graph attention convolutional neural network model for chemical poisoning of honey bees’ prediction;Science Bulletin;2020-07

4. Automatic generation of Markush structures from specific compounds;World Patent Information;2019-06

5. Chemical Similarity and Substructure Searches;Encyclopedia of Bioinformatics and Computational Biology;2019