Hi, How can I get the substructure/smarts from the (unfolded) ecfp fingerprint? If thats not possible, is it hard to implement that?
Kind regards, Martin See corresponding functionality in chemaxon: https://docs.chemaxon.com/pages/viewpage.action?pageId=14483752#ExtendedConnectivityFingerprint(ECFP)-FeatureRetrieval ------------------------------------------------------------------------------ Dive into the World of Parallel Programming The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
