Useful utils for analysing chemical reaction #cheminformatics #rdkit #rxnutils Recently lots of users know that generative model of molecule is really useful for drug design. But one of the big challenge is how to make designed molecules. So predicting sythetic route AI is hot topics in these area I think. There are useful retro synthesis AIs are reported such as Spaya.AI, Synthia, Reaxysis, Scifinder as commercial packages and AIZynfinder as OSS.

Useful utils for analysing chemical reaction #cheminformatics #rdkit #rxnutils

Recently lots of users know that generative model of molecule is really useful for drug design. But one of the big challenge is how to make designed molecules. So predicting sythetic route AI is hot topics in these area…