Chemoinformatics: Achievements and challenges, a personal view

Molecules

Volumn 21, Issue 2, 2016, Pages

  Gasteiger, Johann ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

CASD; CASE; Chemical databases; Chemical structure representation; Chemoinformatics; Data mining methods; Data quality; Inductive learning; Property prediction; QSAR; QSPR

Indexed keywords

BIOLOGY; COMPUTER SIMULATION; DRUG DESIGN; HUMAN; MEDICINAL CHEMISTRY; MOLECULAR MODEL; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOFTWARE;

CHEMISTRY, PHARMACEUTICAL; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 84963657293     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules21020151     Document Type: Review

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