ZINC update policy during the ZINC12->ZINC15 transition

Dear ZINC Fans

Our users ask several questions:

1) When will ZINC12 and ZINC15 be updated?
2) How long will the transition from ZINC12 to ZINC15 take?
3) Which one should I use? ZINC12 or ZINC15?

We take these up in turn.

1) ZINC12: We started updating vendor catalogs mid November 2015 and have already refreshed over 90% of the compounds in ZINC12 by updating only 10 of the catalogs, the biggest ones). We will be refreshing more catalogs, and of course the lead-like, fragment-like and drug-like subsets in December 2015. We are not loading new molecules into ZINC12, just refreshing what is already there.

ZINC15 catalogs were refreshed in August 2015. We will start refreshing them again by mid-December 2015, and hope to be current by Jan 1, 2016.

2) Summer 2016. We are moving as fast as we can, and trust us when we say, we cannot wait to stop supporting the old system.

3) If you want 2D (SMILES), please use ZINC15. If you need 3D for docking, ZINC12 remains your best bet. As I write, we are starting up the protomer loading process. We hope to be building 5 million 3D molecules a month by the end of December 2015.

Bottom line: Use ZINC12 for docking (unless you're willing to work with the subset we've processed in ZINC15 already) and use ZINC15 for everything else. We'll announce when we recommend using ZINC15 as the main service (by pointing zinc.docking.org at zinc15.docking.org; zinc12.docking.org will remain available).

John

NB One of the main design goals of ZINC15 was to make it easier and faster to update. We'll soon see how successful we were. Please give us a few months.