Evaluation and calibration of high-throughput predictions of chemical distribution to tissues

Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring

(2016) Julia E. Rager et al.   ENVIRONMENT INTERNATIONAL

Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability

(2016) Brandall L. Ingle et al.   Journal of Chemical Information and Modeling

Drug Distribution Part 2. Predicting Volume of Distribution from Plasma Protein Binding and Membrane Partitioning

(2016) Ken Korzekwa et al.   PHARMACEUTICAL RESEARCH

Drug Distribution. Part 1. Models to Predict Membrane Partitioning

(2016) Swati Nagar et al.   PHARMACEUTICAL RESEARCH

Bayesian methods for uncertainty factor application for derivation of reference values

(2016) Ted W. Simon et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Re-evaluation of animal numbers and costs for in vivo tests to accomplish REACH legislation requirements for chemicals - a report by the Transatlantic Think Tank for Toxicology (t4)

(2016) Costanza Rovida   ALTEX-Alternatives to Animal Experimentation

Identifiability of PBPK models with applications to dimethylarsinic acid exposure

(2015) Ramon I. Garcia et al.   JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS

Toxicokinetic Triage for Environmental Chemicals

(2015) John F. Wambaugh et al.   TOXICOLOGICAL SCIENCES

Incorporating High-Throughput Exposure Predictions With Dosimetry-AdjustedIn VitroBioactivity to Inform Chemical Toxicity Testing

(2015) Barbara A. Wetmore et al.   TOXICOLOGICAL SCIENCES

Analytical challenges for conducting rapid metabolism characterization for QIVIVE

(2015) Ari Tolonen et al.   TOXICOLOGY

The debate on animal ADME studies in drug development: an update

(2014) Mario Pellegatti   Expert Opinion on Drug Metabolism & Toxicology

Predicting Passive and Active Tissue:Plasma Partition Coefficients: Interindividual and Interspecies Variability

(2014) Christopher D. Ruark et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Combining the ‘bottom up’ and ‘top down’ approaches in pharmacokinetic modelling: fitting PBPK models to observed clinical data

(2013) Nikolaos Tsamandouras et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

The Use of Pseudo-Equilibrium Constant Affords Improved QSAR Models of Human Plasma Protein Binding

(2013) Xiang-Wei Zhu et al.   PHARMACEUTICAL RESEARCH

Incorporating New Technologies Into Toxicity Testing and Risk Assessment: Moving From 21st Century Vision to a Data-Driven Framework

(2013) Russell S. Thomas et al.   TOXICOLOGICAL SCIENCES

Correlation-based prediction of tissue-to-plasma partition coefficients using readily available input parameters

(2013) Y. E. Yun et al.   XENOBIOTICA

Prediction of the human oral bioavailability by using in vitro and in silico drug related parameters in a physiologically based absorption model

(2012) Paulo Paixão et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Advancing Prediction of Tissue Distribution and Volume of Distribution of Highly Lipophilic Compounds from a Simplified Tissue-Composition-Based Model as a Mechanistic Animal Alternative Method

(2012) Patrick Poulin et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Use of partition coefficients in flow-limited physiologically-based pharmacokinetic modeling

(2012) Matthew D. Thompson et al.   JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS

A Pharmacokinetic Model of cis- and trans-Permethrin Disposition in Rats and Humans With Aggregate Exposure Application

(2012) Rogelio Tornero-Velez et al.   TOXICOLOGICAL SCIENCES

High-performance metabolic profiling of plasma from seven mammalian species for simultaneous environmental chemical surveillance and bioeffect monitoring

(2012) Youngja H. Park et al.   TOXICOLOGY

Capacities of Membrane Lipids to Accumulate Neutral Organic Chemicals

(2011) Satoshi Endo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Physiologically Based Pharmacokinetic Model Use in Risk Assessment—Why Being Published Is Not Enough

(2011) Eva D. McLanahan et al.   TOXICOLOGICAL SCIENCES

MEGen: a physiologically based pharmacokinetic model generator

(2011) George Loizou   Frontiers in Pharmacology

Confidence Assessment of the Simcyp Time-Based Approach and a Static Mathematical Model in Predicting Clinical Drug-Drug Interactions for Mechanism-Based CYP3A Inhibitors

(2010) Y.-H. Wang   DRUG METABOLISM AND DISPOSITION

A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

(2010) Thomas Peyret et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Prediction of Modified Release Pharmacokinetics and Pharmacodynamics from In Vitro, Immediate Release, and Intravenous Data

(2009) Viera Lukacova et al.   AAPS Journal

The Simcyp®Population-based ADME Simulator

(2009) Masoud Jamei et al.   Expert Opinion on Drug Metabolism & Toxicology

A Bayesian population PBPK model for multiroute chloroform exposure

(2009) Yuching Yang et al.   Journal of Exposure Science and Environmental Epidemiology

Development of an updated PBPK model for trichloroethylene and metabolites in mice, and its application to discern the role of oxidative metabolism in TCE-induced hepatomegaly

(2009) M.V. Evans et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 670 Drug Compounds

(2008) R. S. Obach et al.   DRUG METABOLISM AND DISPOSITION

Validation of a Rapid Equilibrium Dialysis Approach for the Measurement of Plasma Protein Binding

(2008) Nigel J. Waters et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Bayesian Calibration of a Physiologically Based Pharmacokinetic/Pharmacodynamic Model of Carbaryl Cholinesterase Inhibition

(2008) Andy Nong et al.   JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES

ACToR — Aggregated Computational Toxicology Resource

(2008) Richard Judson et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Corrigendum to: “General approach for the calculation of tissue to plasma partition coefficients” [Toxicology in Vitro 22 (2008) 457–467]

(2008) Walter Schmitt   TOXICOLOGY IN VITRO

General approach for the calculation of tissue to plasma partition coefficients

(2007) Walter Schmitt   TOXICOLOGY IN VITRO