The manuscript has appeared on their website: http://pubs.acs.org/doi/pdf/10.1021/ci3001277

Dear ZINC Users

I keep telling you there is a lot of turnover in the chemical marketplace, that ZINC changes rapidly.

Well, last night we removed nearly 5M formerly purchasable compounds from ZINC. As usual, we are also adding about 10,000 molecules per day. We plan to keep doing that pretty well continuously going forward.

We have added nearly a dozen catalogs in the last week, and we are in the process of adding a second dozen before the end of May.

Around here you run fast just to stay where you are.

Good luck to everyone!

John

Dear DOCK Blaster Users

Unfortunately, we had a mishap with DOCK Blaster this morning that caused all jobs to be marked as "docking complete", regardless of what state they were in.

If you were using DOCK Blaster, first, we regret this error, and are taking steps to make sure it does not happen again. Second, the workaround is to re-submit the job.

Again, sorry, and thank you for your patience.

-- John

We have updated many subsets in April.

The special subsets, http://zinc.docking.org/browse/subsets/special, all but Znplike (#103) were updated within the last week.

For the property subsets, http://zinc.docking.org/browse/subsets, most were updated in April, a few date back to March. The everything subset and lead-like will appear date to Feb and new ones will appear in the coming week.

I am puzzled by the apparent drug shortage problem.
http://www.fda.gov/Drugs/DrugSafety/DrugShortages/ucm050792.htm

My hypothesis is that companies are somehow de-incentivized to supply drugs due to regulation. But why wouldn't eager young companies step up to meet this urgent medical need?

Dear Clean-Subset ZINC users

We updated the filtering rules for clean subsets. We were incorrectly filtering out any charged basic amine (!) instead of just quarternary amines and constituitively charged N-alkylated aromatic nitrogens.

The "clean shards" was the first to appear, this morning, to be followed this evening by clean-leads and clean-fragments. "clean-drugs" and "all-clean" will appear by the weekend.

We appreciate your feedback. You can contact us on http://facebook.com/zincdb or tweet us @chem4biology.

John

Dear ZINC Fans

We introduced target detail pages today. The goal is to summarize everything we know about each target, and also to offer links among targets. For now, the report is basic, but you can see what it can do using Dopamine D2 Receptor, Human as an example:

http://zinc.docking.org/targets/DRD2_HUMAN

We hope you find this interesting and useful. We welcome feedback on http://facebook.com/zincdb or tweets @chem4biology.

John

check it out. We are grateful to John Overington and EBI for producing such a marvelous public resource. We hope you find the intersection of Med Chem Space and Purchasable Chemical Space in ZINC useful.

Dear ZINC Users

ChEMBL13 is now ready for download, http://zinc.docking.org/catalogs/chembl13. The purchasable only subset is also now available: http://zinc.docking.org/pbcs/chembl13.

We will be updating target annotations to ChEMBL 13 over the next 24 hours. It is possible that some functions will not work transiently. If you get a wierd result, try again a few minutes later. We will let you know when we have finished.

John