On the significance of topological-indices based non-binary molecular similarity measures

This paper describes experiments to study on how well the whole range of topological indices-based non-binary similarity values represents the physicochemical similarities between compounds. Measured log P values have been compared with the log P values predicted from compounds at different range of...

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Bibliographic Details
Main Authors: Naomie Salim, Holliday, John, Willett, Peter
Format: Article
Published: Universiti Kebangsaan Malaysia 2004