ZINC8:Release notes: Difference between revisions
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Release notes for ZINC version 8, released in | 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. | ||
{{TOCright}} | {{TOCright}} | ||
= Features = | = Features = | ||
| Line 14: | Line 15: | ||
* MLSMR | * MLSMR | ||
* NCI plated 2007 | * NCI plated 2007 | ||
* Drugbank | |||
== New compounds == | == New compounds == | ||
* Over | * 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" | * 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" | * 63K purchasable with zero "rule of 2.5" violations aka "frag-like" | ||
== New look and feel == | == 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 == | == New features == | ||
* all new upload feature | * all new upload feature | ||
* XML RPC support for uploads | * XML RPC support for uploads | ||
* | * subset create feature works. | ||
* | * | ||
| Line 34: | Line 37: | ||
== Broken molecules == | == Broken molecules == | ||
* | * about 135,000 broken molecules were removed from ZINC | ||
== Duplicates == | == Duplicates == | ||
* | * about 400,000 duplicates were removed from ZINC | ||
== Subsetting == | == Subsetting == | ||
* | * The subset feature has been significantly upgraded, and now seems to work for most cases we have tried. | ||
== Uploading == | == Uploading == | ||
* | * Uploading works, and has been stress-tested by thousands of uploads. Of course, it can still break tomorrow... | ||
[[Category:Release notes]] | [[Category:Release notes]] | ||
[[Category:ZINC]] | [[Category:ZINC]] | ||
Revision as of 22:05, 18 June 2008
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.
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...