computer-assisted molecular design

https://doi.org/10.1351/goldbook.CT06954
Computer-assisted @MT06968@ involves all computer-assisted techniques used to discover, design and optimize compounds with desired structure and properties.
Source:
PAC, 1997, 69, 1137. (Glossary of terms used in computational drug design (IUPAC Recommendations 1997)) on page 1141 [Terms] [Paper]