Application & Database Integration
The ECT solution is highly configurable, hence third party applications and databases can be integrated. As a result many features can be implemented and made accessible via the ECT portal. These include, but are not limited to:
Integration of Biodegradation pathways
- For a given product or set of products what are the likely breakdown products under aerobic or anaerobic conditions? Answering questions like this in many circumstances can be very monotonous. Codified automated breakdown analysis removes that monotony and any potential oversights that may occur. For unusual chemistries, codified breakdown rules can help check a very large set of potential reactions. The basic set of reactions in this solution currently has over 220 common reactions. The ECT solution automatically and systematically provides a complete analysis of well-understood chemistries and a first-pass analysis of novel chemistries all to ensure that the best analysis is applied.
- One important feature of the Accelrys ECT Biodegradation protocol is the ability to determine multiple levels of breakdown products, and hence can easily include dozens of potential products.
- In addition to simply identifying all of the likely break-down products, we can configure the protocol to draw attention to those compounds anywhere along any of the biodegradation pathways that may be of toxicological concern. This both increases the probability that potential violations will be identified and hence avoided and decreases time wasted by chemists trying to manually replicate this process.
Database integration
The ECT solution facilitates structure and sub-structure searching against linked or built-in databases. For example, structures can sketched and checked against the EINECS database for substance identification