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febrer 12 @ 09:00 - 11:30

AI/ML-enabled growing of small molecules inside protein cavities

How to anticipate and address early both pre-clinical toxicity and post-marketing safety.

In this presentation, organised by Chemotargets and Parc Científic de Barcelona, the attendees will be offered a hands-on session on how to anticipate and address early both pre-clinical toxicity and post-marketing safety and, in a complete change of paradigm from virtual screening to smart generation, will learn about our new concept on AI-/ML-enabled growing of small molecules from fragment seeds within protein cavities of difficult-to-treat targets.

Chemotargets is a Barcelona-based biotechnology company founded in 2006 by Dr. Jordi Mestres. Its mission has always been to accelerate and optimise the process of creating new medicines, reducing the time, costs and risks associated with traditional pharmaceutical development. In 2017, the company developed CLARITY®, a computational platform to predict the off-target pharmacology of small molecules as a means to anticipate potential mechanistic adverse reactions. The product was quickly adopted by pharmaceutical companies worldwide and the FDA. In 2022, CLARITY® was licensed exclusively to Chemical Abstracts Service to become the technology foundation of CAS BioFinder, the new discovery intelligence platform by CAS.

In the past two years, Chemotargets has evolved from a company focused on software development to a biotechnology company with its own drug discovery projects, especially in the field of oncology and rare diseases. In addition, it maintains a network of international collaborations with academic institutions, pharmaceutical companies and regulatory bodies, consolidating its position as a global reference in the application of artificial intelligence to the development of new medical treatments.

Organitzadors

  • Parc Científic de Barcelona
  • Chemotargets

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