The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models

Science of the Total Environment

Volumn 659, Issue , 2019, Pages 1387-1394

  Toropov, Andrey A ^a   Raška, Ivan ^b   Toropova, Alla P ^a   Raškova, Maria ^b   Veselinović, Aleksandar M ^c   Veselinović, Jovana B ^c  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b CHARLES UNIVERSITY   (Czech Republic)

^c UNIVERSITY OF NI   (Serbia)

Author keywords

CORAL software; Environmental risk; Index of ideality of correlation; OECD principles; QSPR QSAR; Toxicity

Indexed keywords

ENVIRONMENTAL ENGINEERING; POLLUTION;

COMPARISON OF MODELS; CORAL SOFTWARES; DIHYDROFOLATE REDUCTASE; ENVIRONMENTAL RISKS; OECD PRINCIPLES; QSPR/QSAR; QUANTITATIVE STRUCTURES; TETRAHYMENA PYRIFORMIS;

TOXICITY;

CHOLINESTERASE INHIBITOR; DIHYDROFOLATE REDUCTASE INHIBITOR; WATER;

CORRELATION; CRUSTACEAN; CYPRINID; ENVIRONMENTAL RISK; INHIBITOR; OECD; SOFTWARE; TOXICITY;

ACUTE TOXICITY; ARTICLE; CALIBRATION; DAPHNIA MAGNA; ECOTOXICITY; INDEX OF IDEALITY OF CORRELATION; MATHEMATICAL COMPUTING; MONTE CARLO METHOD; NONHUMAN; PIMEPHALES PROMELAS; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLUBILITY; STATISTICAL MODEL; STATISTICAL PARAMETERS; TETRAHYMENA PYRIFORMIS; CHEMICAL MODEL; ENVIRONMENTAL MONITORING; PROCEDURES; TOXICITY; WATER POLLUTANT;

DAPHNIA MAGNA; PIMEPHALES PROMELAS; TETRAHYMENA PYRIFORMIS;

ENVIRONMENTAL MONITORING; MODELS, CHEMICAL; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; WATER POLLUTANTS, CHEMICAL;

EID: 85059553902     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2018.12.439     Document Type: Article

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