Chemist-in-the-loop AI

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Chemist-in-the-Loop AI by Inductive Bio is an advanced generative design platform that integrates expert medicinal chemistry insights with state-of-the-art machine learning (ML) models to accelerate small molecule drug discovery. Traditional design cycles typically explore around 100 molecular ideas; however, this platform enables chemists to evaluate up to 100,000 ideas per cycle, significantly expanding the chemical space explored. The AI models prioritize designs that offer an optimal balance of potency, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties, and synthetic accessibility. Subsequently, experienced medicinal chemists review these top candidates, develop strategic synthesis plans, and collaborate closely with clients to prioritize, synthesize, test, and iterate on compounds, thereby accelerating the progression to development candidates.