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QsarDB Repository

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    Title
    Predicting Skin Sensitization Potency for Michael Acceptors in the LLNA Using Quantum Mechanics Calculations [1]
    Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors [1]
    Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals [1]
    Prediction of estrogenicity: validation of a classification model [1]
    Prediction of PAH mutagenicity in human cells by QSAR classification [1]
    Prediction of rodent carcinogenicity of aromatic amines: a quantitative structure-activity relationships model [1]
    Prediction of the Corneal Permeability of Drug-Like Compounds [1]
    Prediction of the self-accelerating decomposition temperature of organic peroxides using the quantitative structure–property relationship (QSPR) approach [1]
    Prediction of upper flammability limit percent of pure compounds from their molecular structures [1]
    Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols [1]
    Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis [1]
    Probabilistic neural network modeling of the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors [1]
    QSAR Analyses of the Toxicity of Aliphatic Carboxylic Acids and Salts to Tetrahymena Pyriformis [1]
    QSAR for abiotic degradation in air [1]
    QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method [1]
    QSAR for acute toxicity to Daphnia magna [1]
    QSAR for algae toxicity of benzene derivatives [1]
    QSAR for human serum albumin binding [1]
    QSAR for rat chronic LOAEL [1]
    QSAR for relative binding affinity to estrogen receptor [1]