Re: [Rdkit-discuss] Error whilst setting up 2D Pharmacophore distance bins

2021-06-14 Thread Anthony Nash
14:31 To: rdkit-discuss@lists.sourceforge.net Subject: [Rdkit-discuss] Error whilst setting up 2D Pharmacophore distance bins Dear all, I'm setting up a small library of 2D pharmacophore fingerprints. Although I understand the theory behind 2D pharmacophores, this is the first time I've worked

[Rdkit-discuss] Error whilst setting up 2D Pharmacophore distance bins

2021-06-14 Thread Anthony Nash
Dear all, I'm setting up a small library of 2D pharmacophore fingerprints. Although I understand the theory behind 2D pharmacophores, this is the first time I've worked with them and therefore I would appreciate your wisdom/guidance. I'm using the example code from the rdkit HTML