Recent Advances in ADME Predictions
Pp. 3-32 (30)
Laszlo Molnar and Gyorgy M. Keseru
The basic objective of medicinal chemistry is to deliver not only potent in vitro chemicals, but also,
more importantly, drug candidates that can be progressed to clinical trials and that will eventually reach the
market. This is a long and winding road – one that is often tricky to follow and that sometimes reaches a dead
end. Over the past few decades, the pharmaceutical industry has learned that ADME and related parameters are of
pre-eminent importance in selecting a successful candidate. This chapter briefly discusses the most important
physico-chemical and other more complex ADME parameters, while focusing on in silico prediction. Historical
approaches are mentioned, but, as the title suggests, the emphasis is on recent advances. The authors’ intention is
to help medicinal chemists to achieve their goal of identifying new therapeutic options for human diseases.
Discovery Chemistry, Gedeon Richter plc.