[Rdkit-discuss] RDKit descriptors

[Noel O'Boyle]

Hello Greg,

Am I right in saying that there are no 3D descriptors in RDKit? That
they're all either 1D or 2D?

- Noel

Re: [Rdkit-discuss] RDKit descriptors

[Greg Landrum]

Hi Noel,


On Fri, Jan 30, 2009 at 10:31 AM, Noel O'Boyle baoille...@gmail.com wrote:

 Am I right in saying that there are no 3D descriptors in RDKit? That
 they're all either 1D or 2D?

Not completely. The feature map and feature-map vector code is a 3D
descriptor. One could argue that the shape-similarity stuff is also
something of a descriptor.

-greg