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QsarDB Repository

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    Title
    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]
    Molecular Docking, Machine Learning-Guided Design, Synthesis, and Biological Evaluation of Novel Multitarget HDAC/ROCK Inhibitors [1]
    Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes [1]
    Molecular properties affecting the adsorption coefficient of pesticides from various chemical families [1]
    Multivariate Discrimination between Modes of Toxic Action of Phenols [1]