Drug design includes not only ligand design, but also
pharmacokinetics and
toxicity, which are mostly beyond the
possibilities of structure- and/or computer-aided design. Nevertheless,
appropriate chemometric tools, including experimental design and
multivariate statistics, can be of value in the planning and evaluation
of
pharmacokinetic and toxicological experiments and results.
Drug
design is most often used instead of the correct term '
Ligand Design'.
Source:
PAC, 1997, 69, 1137
(Glossary of terms used in computational drug design (IUPAC Recommendations 1997))
on page 1142
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
https://doi.org/10.1351/goldbook.
