Bioactivity descriptors for uncharacterized chemical compounds.

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作者： Martino,Bertoni ^[1] ; Miquel,Duran-Frigola ^[2] ; Pau,Badia-I-Mompel ^[3] ; Eduardo,Pauls ^[1] ; Modesto,Orozco-Ruiz ^[1] ; Oriol,Guitart-Pla ^[1] ; Víctor,Alcalde ^[1] ; Víctor M,Diaz ^[1] ; Antoni,Berenguer-Llergo ^[4] ; Isabelle,Brun-Heath ^[5] ; Núria,Villegas ^[1] ; Antonio García,de Herreros ^[1] ; Patrick,Aloy ^[1]

作者单位： Joint IRB-BSC-CRG Programme in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain. ^[1] Joint IRB-BSC-CRG Programme in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain. miquel@ersilia.io. ^[2] Ersilia Open Source Initiative, Cambridge, UK. miquel@ersilia.io. ^[3] Programa de Recerca en Càncer, Institut Hospital del Mar d'Investigacions Mèdiques (IMIM) and Departament de Ciències de la Salut, Universitat Pompeu Fabra (UPF), Barcelona, Catalonia, Spain. ^[4] Faculty of Medicine and Health Sciences, International University of Catalonia, Barcelona, Catalonia, Spain. ^[5] Joint IRB-BSC-CRG Programme in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain. patrick.aloy@irbbarcelona.org. ^[6] Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Catalonia, Spain. patrick.aloy@irbbarcelona.org. ^[7]

主题词细胞系, 肿瘤(Cell Line, Tumor);药物评价, 临床前(Drug Evaluation, Preclinical);人类(Humans);小分子化合物库(Small Molecule Libraries);构效关系(Structure-Activity Relationship)

DOI 10.1038/s41467-021-24150-4

PMID 34168145

发布时间 2024-04-02

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准确一般字义偏差语意偏离译文作用小提交