Jan 15, 2024

Probing the chemical ‘reactome’ with high-throughput experimentation data

Posted by in categories: chemistry, robotics/AI

Using #AI to define the chemical “reactome”—the important functional sites in small molecules.

High-throughput experimentation (HTE) has great utility for chemical synthesis. However, robust interpretation of high-throughput data remains a challenge. Now, a flexible analyser has been developed on the basis of a machine learning-statistical analysis framework, which can reveal hidden chemical insights from historical HTE data of varying scopes, sizes and biases.

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