XtalPi Partners with Excelra to Enhance AI-Driven Drug Discovery with GOSTAR ADMET Data

Hyderabad, India and Shenzhen, China, January 20, 2022 /PRNewswire/ -- Excelra, a global leader in data and analytics, today announced a partnership with XtalPi, an AI-based biotechnology company, for its Global Online Structure Activity Relationship Database (GOSTAR). XtalPi is reshaping the pharmaceutical industry's drug discovery and development approach through its intelligent digital platform.

As part of the collaboration, Excelra will provide XtalPi with the ADMET dataset from the GOSTAR database. GOSTAR’s ADMET data will support XtalPi's predictive models. This data helps XtalPi confidently address clinical failures of new chemical entities with high accuracy and predictability. The high-quality ADMET datasets in GOSTAR, which are well-annotated, are constructed through a proprietary QMS-ISO certified management process supported by NLP and human intelligence.

GOSTAR provides comprehensive information on over 8 million compounds, manually curated from various sources including patents and journal articles. The database contains more than 29 million SAR-related data points. This well-structured relational database can be used for a variety of applications across different stages of the drug discovery and development lifecycle, aiding in target validation, hit identification, early lead identification, and optimization.

XtalPi Senior Scientist and Research Manager Min Xu stated: "At XtalPi, we have developed advanced AI-based algorithms to address various challenges in the drug design process. The scale and quality of datasets have always been a major concern for us in building high-precision predictive models. This is why we consider GOSTAR a unique and valuable resource. It contains millions of data points covering ADMET properties of different compounds, and it is reliable, structured, and up-to-date. We highly recommend GOSTAR to anyone involved in innovating drug design methodologies."

Excelra Product Director Norman Azoulay stated, "Artificial intelligence and machine learning are bringing a paradigm shift to drug discovery and development. This collaboration will help train XtalPi's models to accurately predict efficacy and safety parameters, ultimately increasing the success rate of drug design."