title: In silico ADMET tools: the dawn of a new generation?
abstract: During the late 1990s, the allure of in silico methods for absorption, distribution, metabolism, excretion and toxicity prediction led to the rapid development of what might be termed first-generation models. However, despite much initial enthusiasm, these largely proved disappointing when applied in real-world settings. Some of the reasons for this disappointment are examined in this perspective. The present status of the field, as second-generation models are beginning to emerge, is surveyed. Finally, the outstanding challenges in the field are delineated and some possible approaches to their resolution suggested.
authors.affiliation: Argenta Discovery Ltd, 8/9 Spire Green Centre, Flex Meadow, Harlow, Essex, CM19 5TR, UK + 44 1279 645611 ; + 44 1279 645646 ; david.clark@argentadiscovery.com.
authors.forename: David E
authors.initials: DE
authors.lastname: Clark