Re: [Rdkit-discuss] Cheminformatics Graduate School Recommendations?

2021-07-19 Thread cmayerb1
Patrick, I’m not aware of any graduate programs specifically for cheminformatics (others may have more knowledge or experience in this area). If you have specific schools in mind, check out the research areas of the chem faculty; usually you’ll find 1 or 2 with interests that overlap with

[Rdkit-discuss] finding atoms at multiple bond distances from target

2021-04-01 Thread cmayerb1
Good morning, I'm familiar with the atom.GetNeighbors() function to find all atoms within one bond distance of a given atom. Is there any method (either built-in or user-created) to find all atoms within n bond distances (n >= 2) of a given atom? I'm working on a method to assign relative