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CATMoS: Collaborative Acute Toxicity Modeling Suite.
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC. Mansouri K, et al. Among authors: ekins s. Environ Health Perspect. 2021 Apr;129(4):47013. doi: 10.1289/EHP8495. Epub 2021 Apr 30. Environ Health Perspect. 2021. PMID: 33929906 Free PMC article.
A turning point for blood-brain barrier modeling.
Ekins S, Tropsha A. Ekins S, et al. Pharm Res. 2009 May;26(5):1283-4. doi: 10.1007/s11095-009-9832-3. Epub 2009 Jan 23. Pharm Res. 2009. PMID: 19165578 No abstract available.
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening.
Zhang L, Fourches D, Sedykh A, Zhu H, Golbraikh A, Ekins S, Clark J, Connelly MC, Sigal M, Hodges D, Guiguemde A, Guy RK, Tropsha A. Zhang L, et al. Among authors: ekins s. J Chem Inf Model. 2013 Feb 25;53(2):475-92. doi: 10.1021/ci300421n. Epub 2013 Jan 23. J Chem Inf Model. 2013. PMID: 23252936 Free PMC article.
371 results