V. 1. What is computational toxicology / Brad Reisfeld and Arthur N. Mayeno -- Computational toxicology : application in environmental chemicals / Yu-Mei Tan ... [et al.] -- Role of computational methods in pharmaceutical sciences / Sandhya Kortagere, Markus Lill, and John Kerrigan -- Best practices in mathematical modeling / Lisette G. de Pillis and Ami E. Radunskaya -- Tools and techniques / Arthur N. Mayeno and Brad Reisfeld -- Prediction of physicochemical properties / John C. Dearden -- Informing mechanistic toxicology with computational molecular models / Michael R. Goldsmith ... [et al.] -- Chemical structure representations and applications in computational toxicity / Muthukumarasamy Karthikeyan and Renu Vyas -- Accessing and using chemical property databases / Janna Hastings, Zara Josephs, and Christoph Steinbeck -- Accessing, using, and creating chemical property databases for computational toxicology modeling / Antony J. Williams ... [et al.] -- Molecular dynamics / Xiaolin Cheng and Ivaylo Ivanov -- Introduction to pharmacokinetics in clinical toxicology / Pavan Vajjah, Geoffrey K. Isbister, and Stephen B. Duffull -- Modeling of Aasorption / Walter S. Woltosz, Michael B. Bolger, and Viera Lukacova -- Prediction of pharmacokinetic parameters / A.K. Madan and Harish Dureja -- Ligand- and structure-based pregnane X receptor models / Sandhya Kortagere, Matthew D. Krasowski, and Sean Ekins -- Non-compartmental analysis / Johan Gabrielsson and Daniel Weiner -- Compartmental modeling in the analysis of biological systems / James B. Bassingthwaighte ... [et al.] -- Physiologically based pharmacokinetic/toxicokinetic modeling / Jerry L. Campbell ... [et al.] -- Interspecies extrapolation / Elaina M. Kenyon -- Population effects and variability / Jean Lou Dorne ... [et l.] -- Mechanism-based pharmacodynamic modeling / Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager.