Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction

Molecular Informatics

Volumn 34, Issue 6-7, 2015, Pages 357-366

  Cortés Ciriano, Isidro ^a   Bender, Andreas ^b   Malliavin, Thérèse ^a  

^a CNRS   (France)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Chemogenomics; PARP; Proteochemometrics; QSAR; Selectivity

Indexed keywords

NICOTINAMIDE ADENINE DINUCLEOTIDE ADENOSINE DIPHOSPHATE RIBOSYLTRANSFERASE INHIBITOR; NICOTINAMIDE ADENINE DINUCLEOTIDE ADENOSINE DIPHOSPHATE RIBOSYLTRANSFERASE;

AMINO ACID SEQUENCE; ARTICLE; CHEMOMETRICS; CONFIDENCE INTERVAL; DRUG BINDING SITE; DRUG CONFORMATION; ENZYME INHIBITION; ENZYME INHIBITOR INTERACTION; MACHINE LEARNING; PREDICTION; PRIORITY JOURNAL; PROTEOCHEMOMETRICS; PROTEOMICS; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; UNCERTAINTY; CHEMISTRY; GENETICS; HUMAN; MOLECULAR MODEL; SEQUENCE ANALYSIS;

HUMANS; MODELS, MOLECULAR; POLY(ADP-RIBOSE) POLYMERASE INHIBITORS; POLY(ADP-RIBOSE) POLYMERASES; SEQUENCE ANALYSIS, PROTEIN;

EID: 84933513818     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201400165     Document Type: Article

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