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QsarDB Repository

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    Title
    Characterization and prediction of double-layer capacitance of nanoporous carbon materials using the Quantitative nano-Structure-Property Relationship approach based on experimentally determined porosity descriptors. [1]
    Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets [1]
    Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis [1]
    Classifying bio-concentration factor with random forest algorithm, influence of the bio-accumulative vs. non-bio-accumulative compound ratio to modelling result, and applicability domain for random forest model [1]
    Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances [1]
    Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis [1]
    Comparative toxicity of new halophenolic DBPs in chlorinated saline wastewater effluents against a marine alga: Halophenolic DBPs are generally more toxic than haloaliphatic ones [1]
    Comparative toxicity of selected nitrogen-containing aromatic compounds in the Tetrahymena pyriformis and Pimephales promelas test systems [1]
    Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides [1]
    Comparison of Tetrahymena and Pimephales Toxicity Based on Mechanism of Action [1]
    Correlation of Tetrahymena and Pimephales Toxicity: Evaluation of 100 Additional Compounds [1]
    Correlations for the acute toxicity of multiple nitrogen substituted aromatic molecules [1]
    Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis [1]
    Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish [1]
    Development of a chronic fish toxicity model for predicting sub-lethal NOEC values for non-polar narcotics [1]
    Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy [1]
    Development of classification and regression based QSAR models to predict rodent carcinogenic potency using oral slope factor [1]
    Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies [1]
    Development of simple QSPR models for the impact sensitivity of nitramines [1]
    Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides [1]