Computational Toxicology

Molecular Descriptors For Structure-Activity Applications: A Hands-On Approach.- The OECD QSAR Toolbox Starts Its Second Decade.- QSAR: What Else? .- (Q)SARs as Adaptations to REACH Information Requirements.- Machine Learning Methods In Computational Toxicology.- Applicability Domain: A Step Toward Confident Predictions And Decidability for QSAR Modeling.- Molecular Similarity In Computational Toxicology.- Molecular Docking for Predictive Toxicology.- Criteria and Application on the use of Non-Testing Methods within a Weight of Evidence Strategy.- Characterization and Management of Uncertainties in Toxicological Risk Assessment: Examples from the Opinions of the European Food Safety Authority.- Computational Toxicology and Drug Discovery.- Approaching Pharmacological Space: Events and Components.- Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation.- Enalos Suite:New Cheminformatics Platform for Drug Discovery and Computational Toxicology.- Ion Channels In Drug Discovery and Safety Pharmacology.- Computational Approaches in Multi-Target Drug Discovery.- Nano-Formulations for Drug Delivery: Safety, Toxicity, and Efficacy.- Toxicity Potential Of Nutraceuticals.- Impact of Pharmaceuticals on the Environment: Risk Assessment using QSAR Modeling Approach.- (Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks.- Stem Cell-Based Methods to Predict Developmental Chemical Toxicity.- Predicting Chemically-Induced Skin Sensitisation by using In Chemico/In Vitro Methods.- Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways using Gene Expression Data.- Non-Test Methods to Predict Acute Toxicity: State of Art for Applications of In Silico Methods.- Predictive Systems Toxicology.- Chemoinformatic Approach to Assess Toxicity of Ionic Liquids.- Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results.