Hi all,
Off-topic, I know, so please reply to me via private email.
I'm writing a paper about chemfp and the FPS format, and this seemed the best
place to get broader feedback.
I started chemfp to, among other things, promote the FPS format as a common
exchange format for fingerprint data. I want to include information in the
paper about the level of success of the program and of the format.
Could you tell me (by private email):
1) Are you using the FPS format outside of chemfp, and/or do you know of others
using it?
2) What other tools support the FPS format?
I know of support in Open Babel, CACTVS, and the 'fingerprint' package for R.
I'm also interested in in-house tools. The FPS format started in part as way to
reduce the high number of in-house formats. I'm not going to cite the tools or
even the company, I just want to say if it's being used by in-house tools.
3) Are there fingerprint data sets available in FPS format?
I know that ChEMBL releases RDKit Morgan fingerprints as part of their data
distribution. I don't know of any others.
4) Do you use chemfp, and/or do you have a sense of how many others use chemfp?
It seems that a lot of people use it. I have very little in the way of concrete
numbers. There are 20 downloads/month from the chemfp web site and 15/month
through BioConda. An unknown number of people install it through PyPI/'pip
install chemfp', or chemfp is installed by a sysadmin, or available through
something like the ChemicalToolBoX for Galaxy.
Cheers,
Andrew
da...@dalkescientific.com
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
