Low-hanging fruit: use cases in XChem / ASAP

[mwinokan]

Almost no dev

• [ ] Tagging experimental hits / compound poses by pockets
• [ ] Busting de novo compound poses from Fragmenstein / other

Some dev

• [ ] Determining if a vector is going in a favourable direction (cone)
• [ ] 3d meshes of rdkit features in the fragment bolus

Theory & dev

• [ ] SuCOS alternative to score if shape and colour of compounds relative to hits

[mwinokan]

Can the SABS students help?