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Page 1
iSIM: instant similarity.
López-Pérez K, Kim TD, Miranda-Quintana RA. López-Pérez K, et al. Among authors: miranda quintana ra. Digit Discov. 2024 May 7;3(6):1160-1171. doi: 10.1039/d4dd00041b. eCollection 2024 Jun 12. Digit Discov. 2024. PMID: 38873032 Free PMC article.
Efficient clustering of large molecular libraries.
Pérez KL, Jung V, Chen L, Huddleston K, Miranda-Quintana RA. Pérez KL, et al. Among authors: miranda quintana ra. bioRxiv [Preprint]. 2024 Aug 10:2024.08.10.607459. doi: 10.1101/2024.08.10.607459. bioRxiv. 2024. PMID: 39149242 Free PMC article. Preprint.
Thermodynamic electrophilicity.
Miranda-Quintana RA. Miranda-Quintana RA. J Chem Phys. 2017 Jun 7;146(21):214113. doi: 10.1063/1.4984611. J Chem Phys. 2017. PMID: 28595401
Diversity and Chemical Library Networks of Large Data Sets.
Dunn TB, Seabra GM, Kim TD, Juárez-Mercado KE, Li C, Medina-Franco JL, Miranda-Quintana RA. Dunn TB, et al. Among authors: miranda quintana ra. J Chem Inf Model. 2022 May 9;62(9):2186-2201. doi: 10.1021/acs.jcim.1c01013. Epub 2021 Nov 1. J Chem Inf Model. 2022. PMID: 34723537
Coupled cluster-inspired geminal wavefunctions.
Gaikwad PB, Kim TD, Richer M, Lokhande RA, Sánchez-Díaz G, Limacher PA, Ayers PW, Miranda-Quintana RA. Gaikwad PB, et al. Among authors: miranda quintana ra. J Chem Phys. 2024 Apr 14;160(14):144108. doi: 10.1063/5.0202035. J Chem Phys. 2024. PMID: 38597308
Sampling and Mapping Chemical Space with Extended Similarity Indices.
López-Pérez K, López-López E, Medina-Franco JL, Miranda-Quintana RA. López-Pérez K, et al. Among authors: miranda quintana ra. Molecules. 2023 Aug 30;28(17):6333. doi: 10.3390/molecules28176333. Molecules. 2023. PMID: 37687162 Free PMC article.
Electronegativity and redox reactions.
Miranda-Quintana RA, Martínez González M, Ayers PW. Miranda-Quintana RA, et al. Phys Chem Chem Phys. 2016 Aug 10;18(32):22235-43. doi: 10.1039/c6cp03213c. Phys Chem Chem Phys. 2016. PMID: 27451962
52 results