New CLOGP/CMR
- The ClogP Program is now the same as BioByte's
ClogP-3.16 and the CMR program is the same as BioByte's CMR-3.55
- New fragment tables
- Steroid and glycoside corrections have been added to the algorithm
- allylic and vinyl fragments are now perceived correctly
- Slower, since canonicalization is now performed prior
to processing
- Reduced crashing! Still can happen but less frequent.
Daylight Chemical Information Systems, Inc.
info@daylight.com