[ascct] OECD QSAR Toolbox Version 3.3 now available
- From: Kristie Sullivan <KSullivan@xxxxxxxx>
- To: "ascct@xxxxxxxxxxxxx" <ascct@xxxxxxxxxxxxx>
- Date: Thu, 11 Dec 2014 10:33:08 -0500
The next version (3.3) of the OECD QSAR Toolbox can be downloaded free of
charge here:
http://www.qsartoolbox.org/download
Please see release notes for full list of changes, which includes tens of
thousands of new data points for a variety of existing databases as well as the
following new functionalities:
New databases:
* Human Half-life (kM) – 1105 chemicals with 2045 half-life data points
related to two endpoints:
* Half Life (biotransformation)
* Half-life (total Body)
* ToxCast DB – database is implemented as a plugin tool including 1813
chemicals with 54669 data points
* Developmental and Reproductive Toxicity (DART) database – 716 chemicals
with 1430 data points separated as follows:
* Developmental toxicity (716 data points)
* Reproductive toxicity (714 data points)
New Profilers:
* Respiratory sensitization
* DART scheme v1.0
* Protein binding alerts for Chromosomal aberration by OASIS v1.1
* Retinoic Acid Receptor Binding
External SAR models:
* Explosive properties (Impact sensitivity of nitroaliphatic compounds)
* Photoinduced toxicity models with different domains
* Photoinduced toxicity of PAH
* Photoinduced toxicity based on 3T3 NRU data
* Developmental and Reproductive Toxicity DART (P&G)
Several new functionalities and usability improvements are also included.
Kristie Sullivan
Secretary, ASCCT
ksullivan@xxxxxxxxxxx<mailto:ksullivan@xxxxxxxxxxx>
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