Useful package for enumerating reaction prodcuts from building block dataset #cheminformatics #rdkit #memo
Recently, generative AI can generate reasonable molecules under user defined conditions but it's difficult to consider synthetic feasibility of generated molecules correctory. So building…
Recently, generative AI can generate reasonable molecules under user defined conditions but it's difficult to consider synthetic feasibility of generated molecules correctory. So building block beased approaches are developed for design novel drug like molecules. By using the approach, origin of designed molecules is building blocks and known reactions. It means synthetic feasibility is high compared to fully de novo designed molecules by using AI only.
