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Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs.
Duran-Frigola M, Bertoni M, Blanco R, Martínez V, Pauls E, Alcalde V, Turon G, Villegas N, Fernández-Torras A, Pons C, Mateo L, Guitart-Pla O, Badia-I-Mompel P, Gimeno A, Soler N, Brun-Heath I, Zaragoza H, Aloy P. Duran-Frigola M, et al. Among authors: fernandez torras a. J Chem Inf Model. 2020 Dec 28;60(12):5730-5734. doi: 10.1021/acs.jcim.0c00420. Epub 2020 Jul 16. J Chem Inf Model. 2020. PMID: 32672454
Connecting chemistry and biology through molecular descriptors.
Fernández-Torras A, Comajuncosa-Creus A, Duran-Frigola M, Aloy P. Fernández-Torras A, et al. Curr Opin Chem Biol. 2022 Feb;66:102090. doi: 10.1016/j.cbpa.2021.09.001. Epub 2021 Oct 6. Curr Opin Chem Biol. 2022. PMID: 34626922 Review.
A community challenge for a pancancer drug mechanism of action inference from perturbational profile data.
Douglass EF Jr, Allaway RJ, Szalai B, Wang W, Tian T, Fernández-Torras A, Realubit R, Karan C, Zheng S, Pessia A, Tanoli Z, Jafari M, Wan F, Li S, Xiong Y, Duran-Frigola M, Bertoni M, Badia-I-Mompel P, Mateo L, Guitart-Pla O, Chung V; DREAM CTD-squared Pancancer Drug Activity Challenge Consortium; Tang J, Zeng J, Aloy P, Saez-Rodriguez J, Guinney J, Gerhard DS, Califano A. Douglass EF Jr, et al. Among authors: fernandez torras a. Cell Rep Med. 2022 Jan 18;3(1):100492. doi: 10.1016/j.xcrm.2021.100492. eCollection 2022 Jan 18. Cell Rep Med. 2022. PMID: 35106508 Free PMC article.
Democratizing knowledge representation with BioCypher.
Lobentanzer S, Aloy P, Baumbach J, Bohar B, Carey VJ, Charoentong P, Danhauser K, Doğan T, Dreo J, Dunham I, Farr E, Fernandez-Torras A, Gyori BM, Hartung M, Hoyt CT, Klein C, Korcsmaros T, Maier A, Mann M, Ochoa D, Pareja-Lorente E, Popp F, Preusse M, Probul N, Schwikowski B, Sen B, Strauss MT, Turei D, Ulusoy E, Waltemath D, Wodke JAH, Saez-Rodriguez J. Lobentanzer S, et al. Among authors: fernandez torras a. Nat Biotechnol. 2023 Aug;41(8):1056-1059. doi: 10.1038/s41587-023-01848-y. Nat Biotechnol. 2023. PMID: 37337100 No abstract available.