ZINC15:update policy - Revision history

Frodo: /* vendor catalogs */ asdf

2015-10-02T22:20:14Z

vendor catalogs: asdf

← Older revision		Revision as of 22:20, 2 October 2015
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	== vendor catalogs ==		== vendor catalogs ==
	We update between 10 and 30 catalogs per month.		* We update between 10 and 30 catalogs per month.
			* Our policy is the 90/90 rule: to have 90% of compounds updated within the last 90 days.
			* We aim to update 90% of catalogs within one year.
			Purchasability policy.
			* any catalog where the typical price exceeds $100/sample, we may at our discretion demote to "Boutique", i.e. too expensive for routine speculative use.
			* any vendor that does not respond efficiently to purchase requests or catalog update requests may be removed from ZINC.

	== 3D models ==		== 3D models ==

TBalius at 22:10, 2 October 2015

2015-10-02T22:10:50Z

← Older revision		Revision as of 22:10, 2 October 2015
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	We build 10,000 3D molecules per day, 24/7/365.		We build 10,000 3D molecules per day, 24/7/365.

	== Ramp up period, through end 2015 =		== Ramp up period, through end 2015 ==
	Catalogs are current as of mid Aug 2015. We are on a break now, but we will resume and be caught up by Nov 1.		Catalogs are current as of mid Aug 2015. We are on a break now, but we will resume and be caught up by Nov 1.

Frodo: adsf

2015-10-02T21:58:24Z

adsf

New page

== vendor catalogs ==
We update between 10 and 30 catalogs per month.

== 3D models ==
We build 10,000 3D molecules per day, 24/7/365.

== Ramp up period, through end 2015 =
Catalogs are current as of mid Aug 2015. We are on a break now, but we will resume and be caught up by Nov 1.

We will prioritize building 3D models as follows:
* compounds in ChEMBL < 600 Da & < 10uM
* in-stock compounds < 300 Da & Mild reactivity
* drugs, metabolites, NPs < 400

When the above is complete, we will move on to:
* On-demand or better, < 400 Da.
* bioactive < 600 Da.

== Fixing broken molecules ==
Any time you find a problematic functional group, e.g. incorrectly protonated indoles, non-linear acetylenes, etc, we can quickly (within one day):
*delete the problematic and suspected problematic 3D molecules
* prioritize to rebuild just these 3D molecules
* help you create a custom dockable database to test the fix
* if you agree the problem is fixed, we will scale up fix the problem globally

== Tranche Exports ==
The pre-prepared exports are created on an ongoing basis. It takes a minimum of one week and realistically more like 2 weeks re-export all 3D tranches. Generally, we expect to be re-exporting each of the 121 tranches in 3D (and 2D) once a month but not more.

[[Category:ZINC15]]