drug design

@[email protected] design includes not only ligand design, but also @[email protected] and @[email protected], which are mostly beyond the possibilities of structure- and/or computer-aided design. Nevertheless, appropriate chemometric tools, including experimental design and @[email protected], can be of value in the planning and evaluation of @[email protected] and toxicological experiments and results. @D[email protected] design is most often used instead of the correct term 'Ligand Design'.
PAC, 1997, 69, 1137. (Glossary of terms used in computational drug design (IUPAC Recommendations 1997)) on page 1142 [Terms] [Paper]