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

scientific article published on 28 May 2013

Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1080/1062936X.2013.773376
P698PubMed publication ID23710765

P2093author name stringA Manganaro
E Benfenati
D Cattaneo
G Gini
N Golbamaki Bakhtyari
T Ferrari
P2860cites workSMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
Reoptimization of MDL keys for use in drug discoveryQ34160151
P433issue5
P921main subjectknowledge extractionQ1582085
P304page(s)365-383
P577publication date2013-05-28
P1433published inSAR and QSAR in Environmental ResearchQ15724562
P1476titleAutomatic knowledge extraction from chemical structures: the case of mutagenicity prediction
P478volume24

Reverse relations

cites work (P2860)
Q28651094A European perspective on alternatives to animal testing for environmental hazard identification and risk assessment
Q28820944A New Structure-Activity Relationship (SAR) Model for Predicting Drug-Induced Liver Injury, Based on Statistical and Expert-Based Structural Alerts
Q28596871Combining QSAR Modeling and Text-Mining Techniques to Link Chemical Structures and Carcinogenic Modes of Action
Q45944187Computational approaches to chemical hazard assessment.
Q64133829Development, validation and integration of in silico models to identify androgen active chemicals
Q37720371Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity
Q39054239Fragment Prioritization on a Large Mutagenicity Dataset
Q92209496Herb-Induced Liver Injury: Phylogenetic Relationship, Structure-Toxicity Relationship, and Herb-Ingredient Network Analysis
Q35835738Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data
Q50420418In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts.
Q57018708Navigating through the minefield of read-across tools: A review of in silico tools for grouping
Q60932122QSAR Development for Plasma Protein Binding: Influence of the Ionization State
Q94033661SAR and QSAR modeling of a large collection of LD rat acute oral toxicity data

Search more.