Chapter 1 Molecular Descriptors for Structure–Activity Applications: A Hands-On Approach

Chapter 2 The OECD QSAR Toolbox Starts Its Second Decade

Chapter 3 QSAR: What Else?

Chapter 4 (Q)SARs as Adaptations to REACH Information Requirements

Chapter 5 Machine Learning Methods in Computational Toxicology

Chapter 6 Applicability Domain: A Step Toward Confident Predictions and Decidability for QSAR Modeling

Chapter 7 Molecular Similarity in Computational Toxicology

Chapter 8 Molecular Docking for Predictive Toxicology

Chapter 9 Criteria and Application on the Use of Nontesting Methods within a Weight of Evidence Strategy

Chapter 10 Characterization and Management of Uncertainties in Toxicological Risk Assessment: Examples from the Opinions of the European Food Safety Authority

Chapter 11 Computational Toxicology and Drug Discovery

Chapter 12 Approaching Pharmacological Space: Events and Components

Chapter 13 Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation

Chapter 14 Enalos Suite: New Cheminformatics Platform for Drug Discovery and Computational Toxicology

Chapter 15 Ion Channels in Drug Discovery and Safety Pharmacology

Chapter 16 Computational Approaches in Multitarget Drug Discovery

Chapter 17 Nanoformulations for Drug Delivery: Safety, Toxicity, and Efficacy

Chapter 18 Toxicity Potential of Nutraceuticals

Chapter 19 Impact of Pharmaceuticals on the Environment: Risk Assessment Using QSAR Modeling Approach

Chapter 20 (Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks

Chapter 21 Stem Cell-Based Methods to Predict Developmental Chemical Toxicity

Chapter 22 Predicting Chemically Induced Skin Sensitization by Using In Chemico / In Vitro Methods

Chapter 23 Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways Using Gene Expression Data

Chapter 24 Nontest Methods to Predict Acute Toxicity: State of the Art for Applications of In Silico Methods

Chapter 25 Predictive Systems Toxicology

Chapter 26 Chemoinformatic Approach to Assess Toxicity of Ionic Liquids

Chapter 27 Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results