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QsarDB Repository

Browsing by Title

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    Title
    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]
    Machine learning Quantitative Structure-Property Relationships as a function of ionic liquid cations for the gas-ionic liquid partition coefficient of hydrocarbons [1]
    Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata [1]
    Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water [1]
    Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization [1]
    Mechanistic QSAR of aromatic amines: New models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens [1]
    Melting Point, Boiling Point, and Symmetry [1]
    Model-Based QSAR for Ionizable Compounds: Toxicity of Phenols Against Tetrahymena pyriformis [1]
    Modelling of antiproliferative activity measured in HeLa cervical cancer cells in a series of xanthene derivatives [1]
    Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning [1]