Large-Scale Evaluation of Molecular Descriptors by Means of Clustering

Author:

Dehmer Matthias,Emmert-Streib Frank,Tripathi Shailesh

Publisher

Public Library of Science (PLoS)

Subject

Multidisciplinary

Reference32 articles.

1. Todeschini R, Viviana C (2010) Molecular Descriptors for Chemoinformatics (2nd edition). Wiley- VCH, Weinheim, Germany.

2. Dragon software: An easy approach to molecular descriptor calculations;A Mauri;MATCH Communications in Mathematical and in Computer Chemistry,2006

3. Determining structural similarity of chem- icals using graph-theoretic indices;SC Basak;Discrete Applied Mathematics,1988

4. Topological indices: their nature and mutual relatedness;SC Basak;Journal of Chemical Information and Computer Sciences,2000

5. Interrelationship of major topological indices evidenced by clustering;SC Basak;Croatica Chemica Acta,2004

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