The Rationial Discovery Framework~(TM):A Novel Tool for Computationally Guided High-Throughput Discovery

摘要

The Rational Discovery Framework(TM) is a novel approach for providing computational guidance in the high-throughput discovery process.The Framework uses a proprietary machine-guidance in the high-throughput discovery process.The Framework uses a proprietary machine-learning algorithm to construct predictive models from existing experimental data.These predictive models are used to computationally screen the contents of large virtual libraries.A variety of experimental design techniques can be brought to bear on the results of a virtual library screen in order to suggest an optimal set of synthsis candidates for the next round of experimentation.