ZINC8:Release notes

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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...