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For a quick check they could run the generated compounds through these databases Zinc15 - https://zinc15.docking.org/ https://zinc15.docking.org/ Chembl - http
by t3po7re5 5y ago
For a quick check they could run the generated compounds through these databases
Zinc15 - https://zinc15.docking.org/ https://zinc15.docking.org/
Chembl - https://www.ebi.ac.uk/chembl/ https://www.ebi.ac.uk/chembl/
Also as an aside I believe there's a current trend to generate chemical compounds by creating SMILES strings using BERT which is a cool way to incorporate language and chemistry (An example of a team doing that https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6 https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6)