Paucity of experimental data, limitation of time and fiscal resources for experimental testing, and an increased awareness of animal rights is pushing the field of toxicology towards new means to generate and interpret data. Computational toxicology thus is becoming an all-inclusive multi-disciplinary emerging research field that includes as diverse disciplines as computational sciences, bioinformatics, chemo-informatics, systems biology, toxicogenomics and toxicokinetics. This Research Topic will bring together information on current modeling efforts to provide a bridge to emerging and ever evolving paradigms that are playing an important role in toxicology and pharmacology particularly regulatory and risk assessment. In this Research Topic, scientists from chemical/pharmaceutical industry, academia, and government will share their research perspectives and insights on the current and future application of computational tools and approaches in health and environmental sciences. The goal of this Research Topic is to develop and engage the model developers and users to promote the maximization of benefits from basic and applied research that is being undertaken to benefit public and environmental health.
The scope of this Research Topic is not limited to, but will include the following active research areas:
· In Silico Modeling

· QSAR/SAR/ QSTR Approaches

· Data Curation and Mining

· Database Ontologies and Knowledge Discovery

· PBPK/TK modeling

· Toxicogenomics

· Predictive toxicology: Open Data and Open Software tools

Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.