Computer-assisted synthetic analysis. Quantitative assessment of transform utilities

✍ Scribed by E. J. Corey; Alan K. Long; Gerald I. Lotto; Stewart D. Rubenstein

• Book ID: 104589429
• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 529 KB
• Volume: 111
• Category: Article
• ISSN: 0165-0513
• DOI: 10.1002/recl.19921110608

✦ Synopsis

Abstract

A novel scheme for assigning initial, or substrate‐independent, ratings for transforms (retroreactions) in the chemical knowledge base for the LHASA program for computer‐assisted synthetic analysis is described. The new rating scheme is based on keyword scales defined for eight rating criteria. Initial ratings are calculated as weighted averages of the ratings in the eight categories. Various applications of initial ratings in LHASA are outlined.