ADME-Tox in drug discovery: integration of experimental and computational technologies

Over the past ten years, in vitro experimental tools to characterize ADME-Tox profiles of compounds have been applied in early stages of the drug discovery process to increase the success rate of discovery programmes and to progress better candidates into drug development. Application of in silico ADME-Tox models has further enhanced discovery support, enabling virtual screening of compounds and thus, application of ADME-Tox at every stage of the discovery process. Ultimately, effective and efficient ADME-Tox support of discovery will depend on a complementary and synergistic use of experimental and in silico ADME-Tox.