Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title

QsarDB Repository

Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title

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    Title
    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 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]
    Data driven modelling of substituted pyrimidine and uracil-based derivatives validated with newly synthesized and antiproliferative evaluated compounds [1]
    Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis [1]
    Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy [1]
    Development of binary classification models for grouping hydroxylated polychlorinated biphenyls into active and inactive thyroid hormone receptor agonists [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]
    Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor [1]
    Draize Rabbit Eye Test Compatibility with Eye Irritation Thresholds in Humans: A Quantitative Structure-Activity Relationship Analysis [1]
    Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach [1]
    Estimating the toxicities of organic chemicals in activated sludge process [1]
    Estimation of aqueous solubility of organic compounds by using the general solubility equation [1]
    Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols [1]