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The Chemical Educator
ISSN: 1430-4171 (electronic version)
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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