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Therapeutic Areas

XtalPi's AI platform, ID4Inno, has two major components: generative AI and quantum physics-based computation. The synergy of AI creativity and the accuracy of physics-based methods enables the discovery of hit/lead compounds from a broader chemical space with speed and rationality. ID4Inno is a validated robust platform for 30+ partnerships and 100+ therapeutic targets. The generative AI has demonstrated its capabilities in enhancing small molecule diversity and novelty. By leveraging our industry-leading force field algorithm, quantum physics-based computational chemistry has a proven track record of high accuracy and throughput in predicting compound physicochemical and ADMET properties for druglikeness.

AI-Enabled Services:

  • Research services that use machine learning (ML) algorithms

  • Research services that use large language models (LLM)

  • Research services that use natural language processing (NLP)

  • Data services that use ML, LLMs or NLP

Utilize XtalPi AI technologies in the following spaces:

  • Biology, including target discovery, imaging and HTS

  • Chemistry, including analytical chemistry, manufacturing and medicinal chemistry

  • Data, including data transfer, analysis and storage

  • Drug Metabolism, including pharmacokinetics and ADME

  • Pharmacology, including in vitro and in vivo disease models

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