Using computers to search databases of existing molecules or compounds to suggest new uses

Note that this is not mutually exclusive with Using published literature to find causal relationships that can be connected to lead to a new causal relationship

This is the approach that Citrine Informatics Atomwise and BenevolentAI use which suggest that it is around TRL 6 in Chemistry, material science, and biology in limited contexts.

This method is called “Virtual screening” or “brute force screening” depending on whether the computer is using a model or notAutonomous Discovery in the Chemical Sciences I + II

(Would model-based screening fall more into the category of Using published literature to find causal relationships that can be connected to lead to a new causal relationship?)

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