The calculation of molecular structural similarity: Principles and practice

Molecular Informatics

Volumn 33, Issue 6-7, 2014, Pages 403-413

  Willett, Peter ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Cluster analysis; Descriptor; Fingerprint; Molecular diversity analysis; Molecular similarity; Similarity coefficient; Similarity measure; Similarity searching; Structural similarity; Structure representation; Weighting scheme

Indexed keywords

SCAFFOLDS; STRUCTURAL ANALYSIS;

DESCRIPTORS; DIVERSITY ANALYSIS; FINGERPRINT; MOLECULAR DIVERSITY; MOLECULAR DIVERSITY ANALYSE; MOLECULAR SIMILARITY; SIMILARITY COEFFICIENTS; SIMILARITY MEASURE; SIMILARITY SEARCHING; STRUCTURAL SIMILARITY; STRUCTURE REPRESENTATION; WEIGHTING SCHEME;

CLUSTER ANALYSIS;

ORPHAN DRUG;

CALCULATION; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; COMPARATIVE STUDY; FINGER DERMATOGLYPHICS; PRIORITY JOURNAL; RARE DISEASE; REVIEW;

EID: 84902841537     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201400024     Document Type: Review

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