Novel molecule research has always been challenging. This period of research is also considered expensive due to the uncertainty of the outcome. Companies are always trying to find ways to fast-track this research.<br/><br/>Whether you are designing a new molecule, or re-purposing a molecule for new application, there are many factors you have to research on. Toxicity of the molecule in terms of ecological, health and safety is one of the core factors that most times influences the GO-NO-GO decision. What if you are fore-warned about these risks even before you start your research and are provided with the choice of closely related analogs/molecules that you could consider? Given this information, you could prioritize the toxicity study early on, or at least confirm that this potential problem is not an issue? What if you can get this information about all the molecules you are narrowing the selection from during target identification?<br/><br/>This presentation will discuss all the factors that are taken into account to predict the toxicity of a new or postulated molecule, and how ViridisChem is approaching the toxicity prediction of novel molecules. We will also discuss how companies can integrate this solution within its discovery R&D to automate the toxicity prediction of library of molecules.

Understanding the potential health and environmental risks of novel molecules and identifying less toxic analogs

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.