@caco3cz Compute key (e.g., Pubchem) fingerprints for each mixture, compute bit frequencies, and compare distribution of frequencies (e.g., K-S test) or consider each mixture a database, and reduce the mixtures to a single fingerprint (e.g., https://t.co/
1,675 followers
1,692 followers
Database fingerprint (DFP): an approach to represent molecular databases https://t.co/2tdpEtzBIY #jcheminf
1,757 followers
@CDDVault is interested: Database fingerprint (DFP): an approach to represent molecular databases https://t.co/dsXP260oV6 https://t.co/hASiFSdV4y
1,646 followers
Database fingerprint (DFP): an approach to represent molecular databases https://t.co/sf2RDqCCxC #cheminformatics https://t.co/etM9iBKEDg