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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatarai B, Boyer S, Chen J, Consonni V, Farag S, Fourches D, García-Sosa AT, Gramatica P, Grisoni F, Grulke CM, Hong H, Horvath D, Hu X, Huang R, Jeliazkova N, Li J, Li X, Liu H, Manganelli S, Mangiatordi GF, Maran U, Marcou G, Martin T, Muratov E, Nguyen DT, Nicolotti O, Nikolov NG, Norinder U, Papa E, Petitjean M, Piir G, Pogodin P, Poroikov V, Qiao X, Richard AM, Roncaglioni A, Ruiz P, Rupakheti C, Sakkiah S, Sangion A, Schramm KW, Selvaraj C, Shah I, Sild S, Sun L, Taboureau O, Tang Y, Tetko IV, Todeschini R, Tong W, Trisciuzzi D, Tropsha A, Van Den Driessche G, Varnek A, Wang Z, Wedebye EB, Williams AJ, Xie H, Zakharov AV, Zheng Z, Judson RS. Mansouri K, et al. Among authors: horvath d. Environ Health Perspect. 2020 Feb;128(2):27002. doi: 10.1289/EHP5580. Epub 2020 Feb 7. Environ Health Perspect. 2020. PMID: 32074470 Free PMC article.
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
Sushko I, Novotarskyi S, Körner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Müller KR, Xi L, Liu H, Yao X, Öberg T, Hormozdiari F, Dao P, Sahinalp C, Todeschini R, Polishchuk P, Artemenko A, Kuz'min V, Martin TM, Young DM, Fourches D, Muratov E, Tropsha A, Baskin I, Horvath D, Marcou G, Muller C, Varnek A, Prokopenko VV, Tetko IV. Sushko I, et al. Among authors: horvath d. J Chem Inf Model. 2010 Dec 27;50(12):2094-111. doi: 10.1021/ci100253r. Epub 2010 Oct 29. J Chem Inf Model. 2010. PMID: 21033656
Using self-organizing maps to accelerate similarity search.
Bonachera F, Marcou G, Kireeva N, Varnek A, Horvath D. Bonachera F, et al. Among authors: horvath d. Bioorg Med Chem. 2012 Sep 15;20(18):5396-409. doi: 10.1016/j.bmc.2012.04.024. Epub 2012 Apr 21. Bioorg Med Chem. 2012. PMID: 22595424
Computational chemogenomics: is it more than inductive transfer?
Brown JB, Okuno Y, Marcou G, Varnek A, Horvath D. Brown JB, et al. Among authors: horvath d. J Comput Aided Mol Des. 2014 Jun;28(6):597-618. doi: 10.1007/s10822-014-9743-1. Epub 2014 Apr 27. J Comput Aided Mol Des. 2014. PMID: 24771144
851 results