ZINC15:current limitations

Some things in ZINC15 are still not right. We are working as fast as we can. If any of these is impacting you in your work, please write us and we will see what we can do to prioritize it.

• We do not have 3D models for every molecule in ZINC15. We estimate we will have 50% coverage of lead-like and 25% coverage of drug-like by Jan 1, 2016.
• Batch mode is not yet working. We estimate December 2015 for a beta version.

timeout problems

• We are aware of timeout problems on long running queries. We have a solution for this expected Dec 2015. In the meantime, there are workarounds. Ask us.
• We know about performance problems under heavy load. We have more hardware standing by to add and will revisit this in November.

incomplete loading

• We know that not all rings are loaded yet. We are about 85% complete. Estimate completion in October 2015.

incomplete curation

• We know that we have not curated all patterns correctly yet

• We know that we are not displaying the SMARTS patterns correctly.

• We know that the JSME editor is not currently handling SMARTS correctly, and that this is our problem not theirs.

• 3D models for every molecule in ZINC.
• no GUI-based method to create "having" queries.

reports of problems to be investigated

• Trent says: here is a mol that does not work for me in db2 generation:

c1ccc2c(c1)[nH]c3scc[n+]23      ZINC01648614

• Nir says: b.t.w. this is an example of one that historically failed (if you're looking for a test case):

ZINC000034474796