The combinatorial chemistry and HTS boom of the 1990’s led to some shocking compounds being put into development.  Analysis of their failure identified pharmacokinetics as a key issue.  After the publication of Lipinski’s work, a number of other group turned to analysing their own ADME datasets asking the question :“what are the molecular properties of compounds with good and bad bioavailability” with the hope of designing in better pharmacokinetics.

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“Molecular Properties That Influence the Oral Bioavailability of Drug Candidates”

Veber et al, J. Med. Chem. 2002, 45, 2615-2623

For a retrospective on the properties of oral drugs and their analysis 20 years on, Shultz’s recent mini review gives another perspective:

Shultz , J. Med. Chem. 2019, 62 , 1701-1714.

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