Excelra, a leading global Data, and Analytics organization, today announced that it has licensed its Global Online Structure Activity Relationship Database (GOSTAR) to Cyclica Inc., a leading biotechnology company whose AI-augmented integrated platform enables multi-objective, polypharmacology-informed design of drug molecules.
GOSTAR is the largest online structure-activity relationship database comprising of over 5.5 million small molecules and their associated chemical, biological, and pharmacological properties. The database is manually curated by our scientific team who excerpts and enriches datasets from functional assays, in vitro, and in vivo studies. A variety of small molecule activities encompassing SAR, physicochemical, metabolic, ADME, and toxicological profiles are captured and structured into a relational database. GOSTAR ultimately equips researchers with insights to generate novel ideas in drug design in the early as well as optimization stages of drug discovery.
Dr. Raveendra Dayam, Director, Chemistry Services, Excelra said: “GOSTAR provides access to more than 28 million experimentally determined quantitative interactions between small molecules and the vast druggable target space. Insights derived from these interactions complement Cyclica’s polypharmacology approach in novel compound drug discovery. GOSTAR is a rich qualitative and quantitative dataset that is applied by many AI/ML companies and we are excited that the data will support Cyclica with its predictive analytics.”
The breadth of data provided by GOSTAR will broaden the domain of applicability of Cyclica’s models, as Dr. Stephen MacKinnon, VP of R&D at Cyclica indicates: “The collaboration with GOSTAR strengthens Cyclica’s training data for our platform models by allowing Cyclica to annotate our proteome screening data, thus enhancing our predicted interaction capabilities. This will have a direct impact on the development of more precise and efficacious medicines for patients in need.”
Cyclica is the first company to approach polypharmacology with a structure-based, AI-augmented in silico discovery platform, centered on ‘Ligand Design’ and ‘Ligand Express’. Powered by MatchMaker, a proprietary deep learning proteome screening technology, and POEM, an innovative supervised learning technology for predicting molecular properties.
Excelra’s data and analytics solutions empower innovation in life sciences from molecule to market. The Excelra Edge comes from a seamless amalgamation of proprietary data assets, domain expertise, and data science to accelerate drug discovery and development.