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Local QSAR based on quantum chemistry calculations for the stability of nitrenium ions to reduce false positive outcomes from standard QSAR systems for the mutagenicity of primary aromatic amines.
Muto S, Furuhama A, Yamamoto M, Otagiri Y, Koyama N, Hitaoka S, Nagato Y, Ouchi H, Ogawa M, Shikano K, Yamada K, Ono S, Hoki M, Ishizuka F, Hagio S, Takeshita C, Omori H, Hashimoto K, Chikura S, Honma M, Sugiyama KI, Mishima M. Muto S, et al. Among authors: furuhama a. Genes Environ. 2024 Nov 21;46(1):24. doi: 10.1186/s41021-024-00318-4. Genes Environ. 2024. PMID: 39574188 Free PMC article.
Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project.
Furuhama A, Kitazawa A, Yao J, Matos Dos Santos CE, Rathman J, Yang C, Ribeiro JV, Cross K, Myatt G, Raitano G, Benfenati E, Jeliazkova N, Saiakhov R, Chakravarti S, Foster RS, Bossa C, Battistelli CL, Benigni R, Sawada T, Wasada H, Hashimoto T, Wu M, Barzilay R, Daga PR, Clark RD, Mestres J, Montero A, Gregori-Puigjané E, Petkov P, Ivanova H, Mekenyan O, Matthews S, Guan D, Spicer J, Lui R, Uesawa Y, Kurosaki K, Matsuzaka Y, Sasaki S, Cronin MTD, Belfield SJ, Firman JW, Spînu N, Qiu M, Keca JM, Gini G, Li T, Tong W, Hong H, Liu Z, Igarashi Y, Yamada H, Sugiyama KI, Honma M. Furuhama A, et al. SAR QSAR Environ Res. 2023 Oct-Dec;34(12):983-1001. doi: 10.1080/1062936X.2023.2284902. Epub 2023 Dec 4. SAR QSAR Environ Res. 2023. PMID: 38047445
Artificial intelligence and real-world data for drug and food safety - A regulatory science perspective.
Thakkar S, Slikker W Jr, Yiannas F, Silva P, Blais B, Chng KR, Liu Z, Adholeya A, Pappalardo F, Soares MDLC, Beeler PE, Whelan M, Roberts R, Borlak J, Hugas M, Torrecilla-Salinas C, Girard P, Diamond MC, Verloo D, Panda B, Rose MC, Jornet JB, Furuhama A, Fang H, Kwegyir-Afful E, Heintz K, Arvidson K, Burgos JG, Horst A, Tong W. Thakkar S, et al. Among authors: furuhama a. Regul Toxicol Pharmacol. 2023 May;140:105388. doi: 10.1016/j.yrtph.2023.105388. Epub 2023 Apr 13. Regul Toxicol Pharmacol. 2023. PMID: 37061083 Free article.
19 results