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

• Main Authors: Salim, Naomie, Holliday, John, Willett, Peter
• Format: Article
• Published: Universiti Kebangsaan Malaysia 2004
• Subjects: QA75 Electronic computers. Computer science
• Online Access: http://eprints.utm.my/id/eprint/28187/; http://www.ukm.my/jsm/english_journals/vol33num2_2004/vol33num2_04page157-172.html
• Institution: Universiti Teknologi Malaysia

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...