This version of ROCS has been built using OEToolkits 2020.0.
Major bug fixes¶
Shape queries with the file extension SQ no longer give incorrect shape Tanimoto scores.
Minor bug fixes¶
ComboScoreare no longer available as options for the
-rankbyparameter. Accordingly, those quantities are also no longer reported in the output results files. Users are encouraged to use
Images in the RocsReport documentation have been updated.