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

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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, multiproperty-driven molecular discovery: from predictions to measurements and back, Science, vol. 382(6677), p. eadi1407, 2023.