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title: "OpenADMET"
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intro: "The OpenADMET Project is developing open tools and datasets to predict and resolve ADMET challenges, reducing drug discovery failure rates and accelerating access of treatments to patients."
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intro: "OpenADMET is an organization with the mission to build open predictive models of safety and toxicity for small molecules, to solve the common problem inherent across the field, improving humanity’s ability to more reliably, cheaply, and effectively treat disease."
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## OpenADMET
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OpenADMET is redefining how scientists address ADMET (absorption, distribution, metabolism, excretion, and toxicity) challenges in drug discovery—issues responsible for over 50% of drug development failures. Through an innovative, open-source framework, OpenADMET is investigating the "anti-targets" underlying ADMET-related failures, building predictive AI models and datasets that are accessible to all. The initiative harnesses nanoscale chemistry, high-throughput structural and functional assays, and AI-driven active learning to efficiently explore chemical space and resolve pharmacokinetic and toxicological liabilities early in the drug development pipeline.
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OpenADMET is an open effort to build predictive models of ADMET properties and understand the mechanisms by which they arise. This means systematically characterizing the proteins and mechanisms that give rise to these properties (protein structures and scaled functional and genetic assays), understanding how small molecules interact with these mechanisms (through high-throughput nanoscale chemistry to explore/exploit chemical space), and integrative computational models (AI/ML ligand/structural, mechanistic, and physiological modeling).
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In collaboration with academia and industry, OpenADMET applies cutting-edge structural biology methods, such as X-ray crystallography and cryo-EM, to enhance model accuracy and predict how drugs interact with key anti-targets. The project is committed to generating high-quality, FAIR (Findable, Accessible, Interoperable, and Reusable) datasets and open-source tools that integrate seamlessly into modern drug discovery workflows.
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Beyond tools and datasets, OpenADMET addresses critical gaps in pharmacogenomics by incorporating genetic diversity into its models, ensuring equitable benefits across populations historically underrepresented in clinical trials. By focusing on universal ADMET challenges rather than specific drug targets, OpenADMET paves the way for safer, more effective therapies while reducing costs and accelerating timelines in drug discovery. With a vision of transforming preclinical optimization, OpenADMET is building a future where ADMET-related failures no longer hinder innovation in medicine.
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We see our role as a guide to the community by developing open datasets and computational models. One way to ignite innovation in ADMET modeling is through community blind challenges. Blind challenges can provide accurate benchmarks of current performance and help us understand how much we have left to achieve. The paragon example is the CASP challenge that set up conditions for the “AlphaFold” breakthrough in protein structure prediction. For ADMET challenges, we plan on using both our generated data on anti-targets of broad interest and ADMET data donated from the community, as we did in our first challenge with the ASAP AViDD center.
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OpenADMET is a nascent coalition of aligned efforts funded by different organizations. Our work currently involves personnel at OMSF, UCSF, Octant, and MSKCC. Our initial funding is through an ARPA-H grant: “AVOID-OME”. Since then, we’ve additionally been funded by the Gates Foundation & Schrodinger, to expand into toxicity and fundamental molecular properties, and by the Astera Institute, to expand our metabolism dataset coverage. We are hard at work on these efforts, and please stay tuned as we begin to launch some new competitions and ways to get involved over the next year.
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**Website**: [openadmet.org](https://openadmet.org/)
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**Github**: [github.com/OpenADMET](https://github.com/OpenADMET)
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**Project Director**: [Ryan Renslow](https://www.linkedin.com/in/ryan-renslow)
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**Github**: [github.com/OpenADMET](https://github.com/OpenADMET)

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