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QsarDB Repository

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    Title
    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]
    Estimation of flash point and autoignition temperature of organic sulfur chemicals [1]
    Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis [1]
    Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals [1]
    Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods [1]
    Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity [1]
    Henry’s law constant of hydrocarbons in air–water system: The cavity ovality effect on the non-electrostatic contribution term of solvation free energy [1]
    Identification of Mechanisms of Toxic Action of Phenols to Tetrahymena pyriformis from Molecular Descriptors [1]
    Identification of reactive toxicants: Structure-activity relationships for amides [1]
    Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors [1]
    Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders [1]
    Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors [1]
    Interspecies Quantitative Structure-Activity Relationship Model for Aldehydes: Aquatic Toxicity [1]
    Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols [1]
    Intrinsic aqueous solubility: mechanistically transparent data-driven modeling of drug substances [1]
    Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors [1]
    Logistic Classification Models for pH-Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System [1]