First Star Ventures reposted this
Excited for Douglas Selinger, Timothy Wall, and the Plex Research to share publicly for the first time their work on Autonomous AI-Driven Drug Discovery. They’re proving what’s possible: it plans and executes large-scale drug discovery programs while maintaining full transparency in its research strategies, progress, and supporting data. At its core is the focal graph, a novel construct that uses centrality algorithms to sift through vast, noisy datasets and extract concise, actionable hypotheses. bioRxiv link below:
"A Framework for Autonomous AI-Driven Drug Discovery" is now available on bioRxiv: Reduction to practice, full transparency, detailed case studies. We've truly moved beyond theory and built usable, autonomous drug discovery workflows capable of producing novel discoveries in a fully transparent fashion. Here we demonstrate a functional prototype that autonomously plans and executes the first step of a target discovery campaign. We describe a preliminary run which identified potentially novel oncology targets in the Wnt pathway, while providing the research methods and specific data points that support them. At the core of this capability is a novel construct called a “focal graph” which combines knowledge graphs with centrality algorithms to allow massive amounts of diverse, noisy, complex data to be distilled into concise, transparent, data-driven hypotheses. In combination with large language models (LLMs), focal graph approaches can be made highly autonomous and can be run on a massive scale. There has been tremendous excitement about the potential of AI in drug discovery, but it has been tempered by a number of concerns, including transparency, fidelity, and questionable novelty. Here we present a way forward: an approach that has been reduced to practice and is capable of producing truly novel findings; whose explicit experimental support can be transparently identified and verified. You may want to keep an eye on this space. Things are about to get very interesting... Plex Research bioRxiv & medRxiv #AI #LLMs #DrugDiscovery #Bioinformatics #Cheminformatics #biorxiv #knowledgegraphs #focalgraphs #AutonomousAI https://lnkd.in/ekHfXspU