-
I've been cross-checking some data I've extracted from Wikipedia versus the dump file in your github repo and noticed some discrepancies.
For example, SMILES data from the drugbox on https://en.wikip…
-
Given `CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C`, the babel-generated 3d molecules differ at two stereocenters from the Schrodinger Ligprep-generated molecule.
-
The idea is to have a list of communities and write a short paragraph about them.
Moreover, we can contact each of them to get opinions and solve: https://github.com/aidanbudd/bosc2015/issues/9
- [Gal…
-
The following page crash from time to time ...
http://www.cheminfo.org/Chemistry/Cheminformatics/Chemical_library.html
With the following error
There is an init script create the default data and I…
-
When make a query the results appear but not eh chemical structures and we have the follUncaught #actelion.js:502 (anonymous function)typerenderer.js:1 (anonymous function)require.js:1658 context.exec…
-
One thing to look into is the Morgan algorithm for uniquely labeling/numbering
atoms in molecules. This will be important for various basic cheminformatics
routines and it is entirely missing. The gen…
-
see the email below-
Hi Enzyme Portal Team,
Sorry for this late notice. We just got to know you are one of the
consumers of our NCBI BLAST services.
We plan to upgrade the NCBI BLAST web service w…
-
I was thinking of building a file containing molecules and the associated biological data however I'm finding difficult to identify all the molecules that have been made on the project, whether there …
-
This is not an issue per se, but just an entry to provide context for the following commit:
https://github.com/citation-style-language/styles/commit/36eb37bb43c22879613f1312d8041dac42d72607.
Here is …
-
How do we best view a collection of molecular structures and their biological activities?
This is a central challenge we have in OSM. It would be good if the casual medicinal chemist could simply bro…