Flexsim-R: A virtual affinity fingerprint descriptor to calculate similarities of functional groups

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 12, 2002, Pages 903-916

  Weber, Alexander ^a,b   Teckentrup, Andreas ^a   Briem, Hans ^a  

^a BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

3D QSAR; Bioisosterism; Docking; Molecular descriptors; Molecular similarity; Neighborhood behavior; Virtual affinity fingerprints

Indexed keywords

BINDING SITES; BIOCHIPS; COMPUTATIONAL CHEMISTRY; DOCKING; MOLECULAR GRAPHICS;

3D-QSAR; BIOISOSTERISM; BUILDING BLOCKES; DESCRIPTORS; DOCKING; MOLECULAR DESCRIPTORS; MOLECULAR SIMILARITY; NEIGHBORHOOD BEHAVIOR; NEIGHBOURHOOD; VIRTUAL AFFINITY FINGERPRINT;

MOLECULES;

BENZIMIDAZOLE; HYDANTOIN; PHENOL; PYRIMIDINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; COMBINATORIAL LIBRARY; COMPUTER PROGRAM; CONTROLLED STUDY; DATA BASE; DEVICE; DRUG DESIGN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING;

EID: 0038513659     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023836420388     Document Type: Article

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