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Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints.
Environ Health Perspect. 2018 Dec;126(12):126001. doi: 10.1289/EHP3264.
Environ Health Perspect. 2018.
PMID: 30561225
Free PMC article.
Review.
Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances.
Oja M, Sild S, Piir G, Maran U.
Oja M, et al. Among authors: piir g.
Pharmaceutics. 2022 Oct 21;14(10):2248. doi: 10.3390/pharmaceutics14102248.
Pharmaceutics. 2022.
PMID: 36297685
Free PMC article.
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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: piir g.
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.
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Binary and multi-class classification for androgen receptor agonists, antagonists and binders.
Piir G, Sild S, Maran U.
Piir G, et al.
Chemosphere. 2021 Jan;262:128313. doi: 10.1016/j.chemosphere.2020.128313. Epub 2020 Sep 11.
Chemosphere. 2021.
PMID: 33182081
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