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LEARNING MATTER

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

Submitted by kpg@mit.edu on Wed, 2023-04-19 21:58

kpg@mit.edu's picture
B. Koscher, Canty, R. B., McDonald, M. A., Greenman, K. P., McGill, C. J., Bilodeau, C. L., Jin, W., Wu, H., Vermeire, F. H., Jin, B., Hart, T., Kulesza, T., Li, S. - C., Jaakkola, T. S., Barzilay, R., Gómez-Bombarelli, R., Green, W. H., and Jensen, K. F., “Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back”, ChemRxiv, 2023.
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