Check if current RDkit handles smirks correctly, and if so, implement
Closed this issue · 2 comments
ridderl commented
Version 2014_09_02 allows correct handling of ring-opening reactions. It requires putting brackets around the product SMARTS, e.g. [C:1][N:2][C:3]=[O:4]>>([C:1][N:2].O[C:3]=[O:4})
-> Remove dependency on CACTVS library
-> Remove dependency on CDK
davidlmobley commented
Stumbled across this old issue while looking for an open source way to process SMIRKS. Have you by any chance hit on anything?