Re: [Rdkit-discuss] shape descriptor expressed as array of numbers

Hello Greg, I develop my own algorithm which is based on machine learning, therefore I am looking for detailed shape descriptors to incorporate. The prerequisite is that the descriptor must be expressed as an array of numbers. I don't have something in mind specifically, but from the literature

Re: [Rdkit-discuss] Depicting reactions to the same quality as molecules

Hi Ed, This is a weak spot; we haven't yet added decent reaction depiction. The best that's currently available is to use the old drawing code (Draw.ReactionToImage()) and to make sure that you have the cairo libraries installed so that you at least have decent drawings. Which operating