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Guiding Generative Molecular Design with Experimental Feedback Using Oracles

An illustration of molecules.Generative chemistry with AI has the potential to revolutionize how scientists approach drug discovery and development, health, and materials science and…An illustration of molecules.

Generative chemistry with AI has the potential to revolutionize how scientists approach drug discovery and development, health, and materials science and engineering. Instead of manually designing molecules with “chemical intuition” or screening millions of existing chemicals, researchers can train neural networks to propose novel molecular structures tailored to the desired properties.

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