Table of Contents

QSAR Methods.- PBPK Modeling to Simulate the Fate of Compounds in Living Organisms.- Pharmacokinetic Tools and Applications.- In Silico Tools and Software to Predict ADMET of New Drug Candidates.- Development of In Silico Methods for Toxicity Prediction in Collaboration between Academia and the Pharmaceutical Industry.- Emerging Bioinformatics Methods and Resources in Drug Toxicology.- In Silico Prediction of Chemically-Induced Mutagenicity: A Weight of Evidence Approach Integrating Information from QSAR Models and Read-Across Predictions.- In Silico Methods for Chromosome Damage.- In Silico Methods for Carcinogenicity Assessment.- In Silico Models for Developmental Toxicity.- In Silico Models for Repeated-Dose Toxicity (RDT): Prediction of the No Observed Adverse Effect Level (NOAEL) and Lowest Observed Adverse Effect Level (LOAEL) for Drugs.- In Silico Models for Predicting Acute Systemic Toxicity.- In Silico Models for Skin Sensitization and Irritation.- In Silico Models for Hepatotoxicity.- Machine Learning Models for Predicting Liver Toxicity.- Implementation of In Silico Toxicology Protocols in Leadscope.- Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity.- Using VEGAHUB within a Weight-of-Evidence Strategy.- MultiCASE Platform for In Silico Toxicology.- Adverse Outcome Pathways as Versatile Tools in Liver Toxicity Testing.- The Use of In Silico Methods for the Regulatory Toxicological Assessment of Pharmaceutical Impurities.- Computational Modeling of Mixture Toxicity.- In Silico Methods for Ecological Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives.- Increasing the Value of Data within a Large Pharmaceutical Company through In Silico Models.