Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title

QsarDB Repository

Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title

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    Title
    A baseline inhalation toxicity model for narcosis in mammals [1]
    A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data [1]
    A high correlate and simplified QSPR for viscosity of imidazolium-based ionic liquids [1]
    A Linear Model to Predict Chronic Effects of Chemicals on Daphnia magna [1]
    A novel QSAR approach for estimating toxicity of phenols [1]
    A QSAR Approach for the Prediction of Stability of Benzoglycolamide Ester Prodrugs [1]
    A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure [1]
    A quantitative structure–activity relationship study of the skin irritation potential of phenols [1]
    Abiotic Sulfhydryl Reactivity: A Predictor of Aquatic Toxicity for Carbonyl-Containing α,β-Unsaturated Compounds [1]
    Adsorption behaviour and qspr studies of organotin compounds on estuarine sediment [1]
    An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action [1]
    Aquatic Toxicities of Halogenated Benzoic Acids to Tetrahymena pyriformis [1]
    Aquatic toxicity and abiotic thiol reactivity of aliphatic isothiocyanates: Effects of alkyl-size and -shape [1]
    Aquatic toxicology of nitrogen heterocyclic molecules: Quantitative structure-activity relationships [1]
    Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action [1]
    Binary and multi-class classification for androgen receptor agonists, antagonists and binders [1]
    Characterization and prediction of double-layer capacitance of nanoporous carbon materials using the Quantitative nano-Structure-Property Relationship approach based on experimentally determined porosity descriptors. [1]
    Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets [1]
    Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis [1]
    Classifying bio-concentration factor with random forest algorithm, influence of the bio-accumulative vs. non-bio-accumulative compound ratio to modelling result, and applicability domain for random forest model [1]