Extended functional groups (EFG): An efficient set for chemical characterization and structure-activity relationship studies of chemical compounds

Molecules

Volumn 21, Issue 1, 2016, Pages

  Salmina, Elena S ^a   Haider, Norbert ^b   Tetko, Igor V ^c,d  

^a TU BERGAKADEMIE FREIBERG   (Germany)

^b UNIVERSITY OF VIENNA   (Austria)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

^d BigChem GmbH   (Germany)

Author keywords

Chemical functional groups; Chemoinformatics analysis; Data interpretation; Heterocyclic compounds; Machine learning

Indexed keywords

CHEMICAL DATABASE; SOFTWARE; STRUCTURE ACTIVITY RELATION;

DATABASES, CHEMICAL; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84978159438     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules21010001     Document Type: Article

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