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QsarDB Repository

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    Title
    Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides [1]
    Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds [1]
    Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers [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]
    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]