Our
last release focused on chemistry enhancements, and this release continues that theme by extending the list of calculated properties that are available in CDD Vault. The following additional chemical properties are now available for you:
API Page Size We’ve increased the maximum number of records that you can retrieve in a single API request to 1000. However, please note that if you need to retrieve lots of records you should be using the
async option instead. This avoids page size limits entirely: issuing the request will start an export job on our servers, and once it is done your script can retrieve the complete set of records in one go. Check out the
API documentation for more details.
- LogD as calculated by ChemAxon at pH 7.4
- LogS as calculated by ChemAxon at pH 7.4
- Fsp3 (the fraction of sp3 hybridized carbons)
- CNS MPO Score as defined in Wager et al.
