| Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity [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] |
| Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris : Development of a Novel Database [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] |
| Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances [1] |
| Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis [1] |
| Comparative toxicity of new halophenolic DBPs in chlorinated saline wastewater effluents against a marine alga: Halophenolic DBPs are generally more toxic than haloaliphatic ones [1] |
| Comparative toxicity of selected nitrogen-containing aromatic compounds in the Tetrahymena pyriformis and Pimephales promelas test systems [1] |
| Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides [1] |
| Comparison of Tetrahymena and Pimephales Toxicity Based on Mechanism of Action [1] |
| Correlation of Tetrahymena and Pimephales Toxicity: Evaluation of 100 Additional Compounds [1] |
| Correlations for the acute toxicity of multiple nitrogen substituted aromatic molecules [1] |
| Data driven modelling of substituted pyrimidine and uracil-based derivatives validated with newly synthesized and antiproliferative evaluated compounds [1] |