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Data-Driven Strategies for Accelerated Materials Design.
Pollice R, Dos Passos Gomes G, Aldeghi M, Hickman RJ, Krenn M, Lavigne C, Lindner-D'Addario M, Nigam A, Ser CT, Yao Z, Aspuru-Guzik A. Pollice R, et al. Among authors: aldeghi m. Acc Chem Res. 2021 Feb 16;54(4):849-860. doi: 10.1021/acs.accounts.0c00785. Epub 2021 Feb 2. Acc Chem Res. 2021. PMID: 33528245 Free PMC article.
Machine learning directed drug formulation development.
Bannigan P, Aldeghi M, Bao Z, Häse F, Aspuru-Guzik A, Allen C. Bannigan P, et al. Among authors: aldeghi m. Adv Drug Deliv Rev. 2021 Aug;175:113806. doi: 10.1016/j.addr.2021.05.016. Epub 2021 May 19. Adv Drug Deliv Rev. 2021. PMID: 34019959 Review.
Assigning confidence to molecular property prediction.
Nigam A, Pollice R, Hurley MFD, Hickman RJ, Aldeghi M, Yoshikawa N, Chithrananda S, Voelz VA, Aspuru-Guzik A. Nigam A, et al. Among authors: aldeghi m. Expert Opin Drug Discov. 2021 Sep;16(9):1009-1023. doi: 10.1080/17460441.2021.1925247. Epub 2021 Jun 15. Expert Opin Drug Discov. 2021. PMID: 34126827 Free PMC article.
On scientific understanding with artificial intelligence.
Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. Krenn M, et al. Among authors: aldeghi m. Nat Rev Phys. 2022;4(12):761-769. doi: 10.1038/s42254-022-00518-3. Epub 2022 Oct 11. Nat Rev Phys. 2022. PMID: 36247217 Free PMC article. Review.
Alchemical absolute protein-ligand binding free energies for drug design.
Khalak Y, Tresadern G, Aldeghi M, Baumann HM, Mobley DL, de Groot BL, Gapsys V. Khalak Y, et al. Among authors: aldeghi m. Chem Sci. 2021 Sep 24;12(41):13958-13971. doi: 10.1039/d1sc03472c. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760182 Free PMC article.
35 results