ZINC8:Release notes

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...