Automatic knowledge extraction from chemical structures: The case of mutagenicity prediction

SAR and QSAR in Environmental Research

Volumn 24, Issue 5, 2013, Pages 365-383

  Ferrari, T ^a   Cattaneo, D ^a   Gini, G ^a   Golbamaki Bakhtyari, N ^b   Manganaro, A ^b   Benfenati, E ^b  

^a POLITECNICO DI MILANO   (Italy)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

data mining; mutagenicity; QSAR; SARpy; SMILES; structural alerts

Indexed keywords

BIOACTIVITY; COMPUTATIONAL CHEMISTRY; DATA MINING;

HUMAN REASONING; KNOWLEDGE EXTRACTION; MOLECULAR FRAGMENTS; MUTAGENICITY; QSAR; SARPY; SMILES; STRUCTURAL ALERT; STRUCTURE-ACTIVITY RELATIONSHIPS;

FORECASTING;

MUTAGENIC AGENT; ORGANIC COMPOUND;

CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SAFETY; STATISTICAL MODEL; TOXICITY; TOXICOLOGY;

HUMANS; MODELS, STATISTICAL; MOLECULAR STRUCTURE; MUTAGENS; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SAFETY MANAGEMENT; TOXICOLOGY;

EID: 84892637074     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2013.773376     Document Type: Article

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