External validation of structure-biodegradation relationship (SBR) models for predicting the biodegradability of xenobiotics

Comparative analysis of local and consensus quantitative structure-activity relationship approaches for the prediction of bioconcentration factor

(2013) G. Piir et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QSTR with extended topochemical atom (ETA) indices. 15. Development of predictive models for toxicity of organic chemicals against fathead minnow using second-generation ETA indices

(2012) K. Roy et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors

(2012) J. Devillers et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Development of ecotoxicity QSAR models based on partial charge descriptors for acrylate and related compounds

(2012) A. Furuhama et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

(2011) Nicola Chirico et al.   Journal of Chemical Information and Modeling

Comparative Studies on Some Metrics for External Validation of QSPR Models

(2011) Kunal Roy et al.   Journal of Chemical Information and Modeling

Construction of coherent nano quantitative structure–properties relationships (nano-QSPR) models and catastrophe theory

(2011) R. Carbó-Dorca et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Quantitative structure–activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors

(2011) M. Moosus et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Simulation of chemical metabolism for fate and hazard assessment. II CATALOGIC simulation of abiotic and microbial degradation

(2011) S. Dimitrov et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Structural alerts for estimating the carcinogenicity of pesticides and biocides

(2011) J. Devillers et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Fragment-similarity-based QSAR (FS-QSAR) algorithm for ligand biological activity predictions

(2011) K.Z. Myint et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Screening for low aquatic bioaccumulation (2): physico-chemical constraints

(2011) M. Nendza et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Reactivity and aquatic toxicity of aromatic compounds transformable to quinone-type Michael acceptors

(2011) F. Bajot et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QSAR analysis of the toxicity of nitroaromatics inTetrahymena pyriformis: structural factors and possible modes of action

(2011) A.G. Artemenko et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Consideration of reactivity to acute fish toxicity ofα,β-unsaturated carbonyl ketones and aldehydes

(2011) A. Furuhama et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Evaluation of the OECD QSAR Application Toolbox and Toxtree for estimating the mutagenicity of chemicals. Part 2. α-β unsaturated aliphatic aldehydes

(2010) J. Devillers et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Evaluation of the OECD QSAR Application Toolbox and Toxtree for estimating the mutagenicity of chemicals. Part 1. Aromatic amines

(2010) J. Devillers et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Evaluation of the OECD (Q)SAR Application Toolbox and Toxtree for predicting and profiling the carcinogenic potential of chemicals

(2010) E. Mombelli et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Domain of EPI suite biotransformation models

(2010) R.S. Boethling et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Comparative PBT screening using (Q)SAR tools within REACH legislation

(2009) M. Zachary et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Prediction of acute mammalian toxicity from QSARs and interspecies correlations

(2009) J. Devillers et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient  Test Set Activity Mean vs Training Set Activity Mean

(2008) Gerrit Schüürmann et al.   Journal of Chemical Information and Modeling