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The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

Abstract Volume 16 (2011) pp 46-50

Chemical Similarity Methods- A Tutorial Review

Ajay Kumar

Apeejay Stya University, Sohna-Palwal Road, Gurgaon, Haryana, ak.gupta59@rediffmail.com
Received March 4, 2010. Accepted September 23, 2010.

Published: 18 February 2011

Abstract. The article reviews four important methods for studying chemical similarity. The four methods are (i) fingerprint-based similarity, (ii) physiochemical property descriptors based similarity, (iii) virtual screening based similarity and (iv) SMILE based chemical similarity search.

Key Words: In the Classroom; general chemistry; chemical similarity; euclidean distance; tanimoto coefficient; virtual screening; fingerprint-based similarity; SMILE- based similarity; physiochemical property descriptors

(*) Corresponding author. (E-mail: ak.gupta59@rediffmail.com)

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