SYSTEMS AND METHODS FOR PERFORMING A COMPUTER-IMPLEMENTED PRIOR ART SEARCH AND NOVEL MARKUSH LANDSCAPE

摘要

In one embodiment, a computer implemented method for implementing a supervised learning engine to conduct a prior art and novel Markush landscaping search is provided. The method may include inputting a query compound into a supervised learning engine; creating, by the supervised learning engine, a query graph framework; decomposing, by the supervised learning engine, the query graph framework into at least one derivative graph node bond frameworks; adding a substituent to each of the at least one derivative graph node bond frameworks; and receiving, from the engine, an output list comprising a set of novel compounds and a set of known compounds.