Applications: chemical safety and risk assessment

There are a plethora of software tools for in silico computational toxicology.  Some resources are freely available while others are commercial tools. Each has its strengths and weaknesses. We pride ourselves on our knowledge of utilizing the best software relevant to the task.  Among the free resources, we often use the OECD QSAR Toolbox, Vega, ChemSpider, Danish (Q)SAR Models and Database, AMBIT and the EPA Dashboard.

For commercial software, we use ACD/Labs’ Percepta for prediction of physicochemical properties as it is known as a world leader in this area. We also use some Percepta ADMET endpoints too. For chemical nomenclature and chemical drawing we use ACD/Name and ACD/ChemSketch.

Read more…

Published by Tox Navigation