How similar is a molecule to another? An electron density measure of similarity between two molecular structures

✍ Scribed by Ramon Carbó; Luis Leyda; Mariano Arnau

• Book ID: 104579853
• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 234 KB
• Volume: 17
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560170612

✦ Synopsis

Abstract

A matching measure between two molecular structures based on density functions is described. Some examples related with an alarm pheromone activity are given; the results encourage the possible use of similarity density concepts in molecular engineering.