Dial-a-molecule workshop: computational prediction of reaction outcomes and optimum synthetic routes

作者：Kilpin Kelly J; Goodman Jonathan M^*; Johnson A Peter; Whitby Richard J

来源：Chemistry Central Journal, 2015, 9(1): 49.

DOI：10.1186/s13065-015-0129-9

• Computational
• Reaction prediction
• Optimisation
• CASD

Computational prediction of reaction outcomes and optimum synthetic routes was a two-day meeting and workshop organised by the EPSRC Dial-a-molecule grand challenge network. Forty delegates discussed computer predictions of synthetic routes and reactions, and considered their relevance to contemporary chemistry.

• 出版日期2015-9-23