Re: [Rdkit-discuss] suggestions for comprehensive searchable database of natural products

2017-11-28 Thread Curt Fischer
I'd also be interested in Juptyer notebooks for this. Thanks Tyler! Curt On Tue, Nov 28, 2017 at 8:26 AM, Tyler Backman wrote: > Hi Jim, > > MiBIG is a useful database of natural product gene clusters and > structures, which you can download in JSON format here, and use

Re: [Rdkit-discuss] suggestions for comprehensive searchable database of natural products

2017-11-28 Thread Tyler Backman
Hi Jim, MiBIG is a useful database of natural product gene clusters and structures, which you can download in JSON format here, and use pretty easily from within Python: https://mibig.secondarymetabolites.org/repository.html This also includes pathway and organism information. Secondly, our

[Rdkit-discuss] suggestions for comprehensive searchable database of natural products

2017-11-27 Thread James T. Metz via Rdkit-discuss
RDkit Discussion Group, My apologies in advance if my request is not appropriate for this discussion group. Given a small molecule that might have some resemblance to natural products, can someone suggest a free, comprehensive, PYTHON/RDkit searchable database of natural products