Computational platform for Green Chemistry

DESCRIPTION (provided by applicant): The field of green chemistry was established in order to reduce or even eliminate any negative impact from the introduction of new chemical products such as new pesticides, cosmetics, or drugs to human health or the environment. Unfortunately, current approaches for testing chemicals are expensive, time-consuming and require the use and sacrifice of hundreds of animals which makes their routine use throughout product development impractical. New approaches to testing chemicals are being developed that are faster and cheaper. These tests rely on assays such as in vitro tests and computer models, and by using a tiered battery of these new tests, it will be eventually possible to make decision on safety throughout the entirechemical RandD process. Different testing approaches should provide an appropriate confidence level at the different phases of product development. This information will be used to make design decisions that mitigate any identified risks. The objective