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A Bayesian experimental autonomous researcher for mechanical design.
Gongora AE, Xu B, Perry W, Okoye C, Riley P, Reyes KG, Morgan EF, Brown KA. Gongora AE, et al. Among authors: riley p. Sci Adv. 2020 Apr 10;6(15):eaaz1708. doi: 10.1126/sciadv.aaz1708. eCollection 2020 Apr. Sci Adv. 2020. PMID: 32300652 Free PMC article.
Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding.
McCloskey K, Sigel EA, Kearnes S, Xue L, Tian X, Moccia D, Gikunju D, Bazzaz S, Chan B, Clark MA, Cuozzo JW, Guié MA, Guilinger JP, Huguet C, Hupp CD, Keefe AD, Mulhern CJ, Zhang Y, Riley P. McCloskey K, et al. Among authors: riley p. J Med Chem. 2020 Aug 27;63(16):8857-8866. doi: 10.1021/acs.jmedchem.0c00452. Epub 2020 Jun 11. J Med Chem. 2020. PMID: 32525674
Evolving symbolic density functionals.
Ma H, Narayanaswamy A, Riley P, Li L. Ma H, et al. Among authors: riley p. Sci Adv. 2022 Sep 9;8(36):eabq0279. doi: 10.1126/sciadv.abq0279. Epub 2022 Sep 9. Sci Adv. 2022. PMID: 36083906 Free PMC article.
Deep diversification of an AAV capsid protein by machine learning.
Bryant DH, Bashir A, Sinai S, Jain NK, Ogden PJ, Riley PF, Church GM, Colwell LJ, Kelsic ED. Bryant DH, et al. Nat Biotechnol. 2021 Jun;39(6):691-696. doi: 10.1038/s41587-020-00793-4. Epub 2021 Feb 11. Nat Biotechnol. 2021. PMID: 33574611
Discovery of complex oxides via automated experiments and data science.
Yang L, Haber JA, Armstrong Z, Yang SJ, Kan K, Zhou L, Richter MH, Roat C, Wagner N, Coram M, Berndl M, Riley P, Gregoire JM. Yang L, et al. Among authors: riley p. Proc Natl Acad Sci U S A. 2021 Sep 14;118(37):e2106042118. doi: 10.1073/pnas.2106042118. Proc Natl Acad Sci U S A. 2021. PMID: 34508002 Free PMC article.
Molecular graph convolutions: moving beyond fingerprints.
Kearnes S, McCloskey K, Berndl M, Pande V, Riley P. Kearnes S, et al. Among authors: riley p. J Comput Aided Mol Des. 2016 Aug;30(8):595-608. doi: 10.1007/s10822-016-9938-8. Epub 2016 Aug 24. J Comput Aided Mol Des. 2016. PMID: 27558503 Free PMC article.
972 results