Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases-Reference-Cited by-同舟云学术

Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases

Published:2004-04-27 Issue:4 Volume:44 Page:1383-1393
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Luque Ruiz Irene¹,Cerruela García Gonzalo¹,Gómez-Nieto Miguel Ángel¹

Affiliation:

1. Department of Computing and Numerical Analysis, University of Córdoba, Campus Universitario de Rabanales, Building C2, Plant 3, E-14071 Córdoba, Spain

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/ci0342831

Reference22 articles.

1. Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval

2. Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

3. Rapid Quantification of Molecular Diversity for Selective Database Acquisition

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