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QSAR modeling: where have you been? Where are you going to?
Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica P, Martin YC, Todeschini R, Consonni V, Kuz'min VE, Cramer R, Benigni R, Yang C, Rathman J, Terfloth L, Gasteiger J, Richard A, Tropsha A. Cherkasov A, et al. Among authors: benigni r. J Med Chem. 2014 Jun 26;57(12):4977-5010. doi: 10.1021/jm4004285. Epub 2014 Jan 6. J Med Chem. 2014. PMID: 24351051 Free PMC article.
Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project.
Honma M, Kitazawa A, Cayley A, Williams RV, Barber C, Hanser T, Saiakhov R, Chakravarti S, Myatt GJ, Cross KP, Benfenati E, Raitano G, Mekenyan O, Petkov P, Bossa C, Benigni R, Battistelli CL, Giuliani A, Tcheremenskaia O, DeMeo C, Norinder U, Koga H, Jose C, Jeliazkova N, Kochev N, Paskaleva V, Yang C, Daga PR, Clark RD, Rathman J. Honma M, et al. Among authors: benigni r. Mutagenesis. 2019 Mar 6;34(1):3-16. doi: 10.1093/mutage/gey031. Mutagenesis. 2019. PMID: 30357358 Free PMC article.
Evaluation of the applicability of existing (Q)SAR models for predicting the genotoxicity of pesticides and similarity analysis related with genotoxicity of pesticides for facilitating of grouping and read across: An EFSA funded project.
Benigni R, Serafimova R, Parra Morte JM, Battistelli CL, Bossa C, Giuliani A, Fioravanzo E, Bassan A, Gatnik MF, Rathman J, Yang C, Mostrag-Szlichtyng A, Sacher O, Tcheremenskaia O. Benigni R, et al. Regul Toxicol Pharmacol. 2020 Jul;114:104658. doi: 10.1016/j.yrtph.2020.104658. Epub 2020 Apr 22. Regul Toxicol Pharmacol. 2020. PMID: 32334037
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. Among authors: benigni r. 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 Free article.
Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52.
Netzeva TI, Worth A, Aldenberg T, Benigni R, Cronin MT, Gramatica P, Jaworska JS, Kahn S, Klopman G, Marchant CA, Myatt G, Nikolova-Jeliazkova N, Patlewicz GY, Perkins R, Roberts D, Schultz T, Stanton DW, van de Sandt JJ, Tong W, Veith G, Yang C. Netzeva TI, et al. Among authors: benigni r. Altern Lab Anim. 2005 Apr;33(2):155-73. doi: 10.1177/026119290503300209. Altern Lab Anim. 2005. PMID: 16180989 No abstract available.
229 results