ADMET in silico modelling: towards prediction paradise?

  title={ADMET in silico modelling: towards prediction paradise?},
  author={Han van de Waterbeemd and Eric A. Gifford},
  journal={Nature reviews. Drug discovery},
  volume={2 3},
Following studies in the late 1990s that indicated that poor pharmacokinetics and toxicity were important causes of costly late-stage failures in drug development, it has become widely appreciated that these areas should be considered as early as possible in the drug discovery process. However, in recent years, combinatorial chemistry and high-throughput screening have significantly increased the number of compounds for which early data on absorption, distribution, metabolism, excretion (ADME… CONTINUE READING
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