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predict chemical reactions
with unprecedented accuracy

for faster drug discovery

Predict chemistry

Bench-focused AI tools that help chemists conceive new ideas and improve the success rates

of chemical reactions.

Improve pipelines

Molecule.one platform aids in creating new discovery pipelines, decreases DMTA turnaround time and improves R&D outcomes.

Sample Use Cases

Late Stage
Functionalization

DNA-Encoded
Libraries

Automated 
Laboratories

Access new potential lead molecules by employing reactions predicted
with high confidence.

Save time and money creating a DNA-Encoded Library by decreasing the percentage of unreactive building blocks.

Run chemical reactions with confidence in automated laboratories thanks to highly robust outcome predictions.

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