I'm looking for the best implementation of inputing a compound or list of compounds and breaking them down into fingerprints or structural features.
Current plan:
- Input is an sdf file
- "Molecular Fingerprinting" component is used to breakdown compounds into fingerprints
- Output to table
Looking for suggestions about:
- best "Type" of molecular fingerprinting methods for building SAR
- examples of other people have implemented theses feartures
Question:
- In the Help, it appears MDLpublickeys are only for 166 of the 960 keys available. Is this true and where can I get the complete list of keys and what there identities mean?
Thanks for any help!
-Jeff