Scientific and regulatory evaluation of mechanistic in silico drug and disease models in drug development: Building model credibility. Musuamba FT, Skottheim Rusten I, Lesage R, Russo G, Bursi R, Emili L, Wangorsch G, Manolis E, Karlsson KE, Kulesza A, Courcelles E, Boissel JP, Rousseau CF, Voisin EM, Alessandrello R, Curado N, Dall'ara E, Rodriguez B, Pappalardo F, Geris L. Pharmacometrics & Systems Pharmacology. 2021. 10(8):804-825. Partner involved: UOXF
Sex and gender differences and biases in artificial intelligence for biomedicine and healthcare. Cirillo D, Catuara-Solarz S, Morey C, Guney E, Subirats L, Mellino S, Gigante A, Valencia A, Rementeria M.J, Santuccione A, Mavridis N. Digital Medicine. 2021. 3:81. Partner involved: IMIM
Reproducibility in systems biology modellings. Tiwari K, Kananathan S, Roberts M, Meyer J, Umer M, Xavier A, Maire M, Zyoud A, Hombres J, NG S, Nguyen T, Glont M, Hermjakob H, Malik-Sheriff R. Molecular Systems Biology. 2021. 17:e9982. Partner involved: EMBL
Drug safety data curation and modeling in ChEMBL: Boxed warnings and withdrawn drugs. Hunter F, Bento P, Bosc N, Gaulton A, Hersey A, Leach A. Chemical Research in Toxicology. 2021. 34(2): 385-395. Partner involved: EMBL
Applying the CiPA approach to evaluate cardiac proarrhythmia risk of some antimalarials used off‐label in the first wave of COVID‐19. Delaunois A, Abernathy M, Anderson W, Beattie K, Chaudhary K, Coulot J, Gryshkova V, Hebeisen S, Holbrook M, Kramer J, Kuryshev Y, Leishman D, Lushbough I, Passini E, Redfern W, Rodriguez B, Rossman E, Trovato C, Wu C, Valentin J. Clinical and Translational Science. 2021. 14(3):1133-1146. Partners involved: Eli-Lilly, GSK, Certara, UOXF
Integration of temporal single cell cellular stress response activity with logic-ODE modeling reveals activation of ATF4-CHOP axis as a critical predictor of drug-induced liver injury. Wijaya L, Trairatphisan P, Gabor A, Niemeijer M, Keet J, Alcalà A, Snijders K, Wink S, Yang H, Childknecht S, Stevens J, Bouwman P, Kamp H, Hengstler, Beltman J, Leist M, Le Dévédec S, Saez-Rodriguez J, Van de Water B. Biochemical Pharmacology. 2021. 190:114591. Partners involved: UL, UKHD
The DisGeNET cytoscape app: Exploring and visualizing disease genomics data. Piñero J, Saüch J, Sanz F, Furlong L. Computational Structural Biotechnology Journal. 2021. 19: 2960-2967. Partner involved: IMIM
New insights into the mechanisms underlying 5-fluorouracil-induced intestinal toxicity based on transcriptomic and metabolomic responses in human intestinal organoids. Rodrigues D, Souza T, Coyle L, Di Piazza M, Herpers B, Ferreira S, Zhang M, Vappiani J, Sévin D, Gabor A, Lynch A, Chung S, Saez-Rodriguez J, Jennen D, Kleinjans J, De Kok T. Archives of Toxicology. 2021. 95(8):2691-2718. Partners involved: UM, BI, Certara, OcellO, GSK, UKHD
Contextualization of causal regulatory networks from toxicogenomics data applied to drug-induced liver injury. Trairatphisan P, De Souza T, Kleinjans J, Jennen D, Saez-Rodriguez J. Toxicology Letters. 2021. 350:40-51. Partners involved: UKHD, UM
The human hepatocyte TXG-MAPr: gene co-expression network modules to support mechanism-based risk assessment. Callegaro G, Kunnen S, Trairatphisan P, Grosdidier S, Niemeijer M, Hollander W, Guney E, Piñero J, Furlong L, Webster Y, Saez-Rodriguez J, Sutherland J, Mollon J, Stevens J, Van de Water B. Archives Toxicology. 2021. 95(12):3745-3775. Partners involved: UL, UKHD, AbbVie, EMC, IMIM