MolGenie’s core business is the development of novel and proprietary software technologies to support the discovery of small molecule drug candidates in biotech or pharmaceutical industries. Through our artificial intelligence powered data extraction and analytics we are collecting relevant structure activity relationships (SAR) from text and images of patents and scientific publications. In addition, this data is combined with authoritative data from established databases and is forming the basis of our Authoritative Intelligence knowledge platform that is integrated with modern large language models to yield query-answering systems in collaboration with our partners.
In addition, we have developed small molecule compound and chemical reaction ontologies for drug discovery by classifying chemical compounds that can be generated by established chemical reaction transforms. Using these ontology rules together with smart data of proprietary SAR and structure-property-relationship (SPR) datasets we are applying generative AI methods to design, select and synthesize molecules that realize desired biological functions, providing the foundation for a broad intellectual property estate for our partners.
To demonstrate the utility of our algorithms, we have selected several high-value drug targets, aiming at the generation of drug-like and selective small molecules that exhibit a clear structure-activity relationship and have the promise of good tolerability and oral bioavailability.