Effective translational methodologies for knowledge representation are needed in order to
make strides against the constellation of diseases that affect the world today. These …

Early prediction of human pharmacokinetics (PK) and drug–drug interactions (DDI) in drug
discovery and development allows for more informed decision making. Physiologically …

Background One of the greatest challenges facing biomedical research is the integration
and sharing of vast amounts of information, not only for individual researchers, but also for …

A pronounced heterogeneity between hepatocytes in subcellular structure and enzyme
activities was discovered more than 50 years ago and initiated the idea of metabolic …

We describe a multi-scale, liver-centric in silico modeling framework for acetaminophen
pharmacology and metabolism. We focus on a computational model to characterize whole …

We provide a rationale for and describe examples of synthetic modeling and simulation
(M&S) of biological systems. We explain how synthetic methods are distinct from familiar …

Computational models of normal liver function and xenobiotic induced liver damage are
increasingly being used to interpret in vitro and in vivo data and as an approach to the de …

The mammalian liver plays a key role for metabolism and detoxification of xenobiotics in the
body. The corresponding biochemical processes are typically subject to spatial variations at …

We provide an overview of computational systems biology approaches as applied to the
study of chemical-and drug-induced toxicity. The concept of “toxicity pathways” is described …

This review summarizes some of the recent developments and identifies critical challenges
associated with in vitro and in silico representations of the liver and assesses the …