ZINC8:Release notes: Difference between revisions
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Latest revision as of 23:12, 4 January 2019
Release notes for ZINC version 8, released June 18, 2008. ZINC 8 was available in beta form for most of 2008 prior to this date.
Features
New vendors
- Adesis
- Asymchem
- Biosynth
- CiVentiChem
- SynQuest
- Zannan
(there are at least 6 more John)
New database sources
- MLSMR
- NCI plated 2007
- Drugbank
New compounds
- Over 8.5 M compounds total
- 8 M purchasable compounds
- 5 M purchasable with zero rule of 5 violations
- 1.1M purchasable with zero "rule of 3.5" violations aka "lead-like"
- 63K purchasable with zero "rule of 2.5" violations aka "frag-like"
New look and feel
- pull down menus for easier navigation
- if it does not work, try a newer browser. (e.g. Firefox 3!)
New features
- all new upload feature
- XML RPC support for uploads
- subset create feature works.
Removed Suppliers
- chemstar.ru
- comgenex
- digital specialty chemicals
Fixes
Broken molecules
- about 135,000 broken molecules were removed from ZINC
Duplicates
- about 400,000 duplicates were removed from ZINC
Subsetting
- The subset feature has been significantly upgraded, and now seems to work for most cases we have tried.
Uploading
- Uploading works, and has been stress-tested by thousands of uploads. Of course, it can still break tomorrow...