Semantic similarity for automatic classification of chemical compounds.

With the increasing amount of data made available in the chemical field, there is a strong need for systems capable of comparing and classifying chemical compounds in an efficient and effective way. The best approaches existing today are based on the structure-activity relationship premise, which st...

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Bibliographic Details
Main Authors: João D Ferreira, Francisco M Couto
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2010-09-01
Series:PLoS Computational Biology
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/20885779/pdf/?tool=EBI