Blood-brain barrier penetration from structure
Classify whether a compound crosses the blood-brain barrier, scored by AUROC on TDC’s scaffold split of 1,975 drugs.
Classify whether a compound crosses the blood-brain barrier, scored by AUROC on TDC’s scaffold split of 1,975 drugs.
shoal-catalog changed this problem (d1cbb60b3b19). This branch makes the change on the project’s files as they are now, so nothing the project added is undone. Merge what still holds.