Publikationen

Ausgewählte Publikationen

 

2025

• Tanoli Z, Fernández-Torras A, Özcan UO, Kushnir A, Nader KM, Gadiya Y, Fiorenza L, Ianevski A, Vähä-Koskela M, Miihkinen M, Seemab U, Leinonen H, Seashore-Ludlow B, Tampere M, Kalman A, Ballante F, Benfenati E, Saunders G, Potdar S, Gómez García I, García-Serna R, Talarico C, Beccari AR, Schaal W, …, Aittokallio T. "Computational drug repurposing: approaches, evaluation of in silico resources and case studies." Nat Rev Drug Discov. 2025;24:521–542. doi: 10.1038/s41573-025-00567-8
• Kuzikov M, et al. "Experimental and machine learning-based exploration of repurposed drugs reveals chemical features underlying phospholipidosis." Patterns. 2025;101453. doi: 10.1016/j.patter.2025.101453
• Karki R, Gadiya Y, Zaliani A, Pokharel B, Babaiha NS, Ostaszewski M, Hofmann-Apitius M, Gribbon P. "KGG: a fully automated workflow for creating disease-specific knowledge graphs." Bioinformatics. 2025 Jul;41(7):btaf383. doi: 10.1093/bioinformatics/btaf383
• Gadiya Y, Genilloud O, Bilitewski U, Brönstrup M, von Berlin L, Attwood M, Gribbon P, Zaliani A. "Predicting Antimicrobial Class Specificity of Small Molecules Using Machine Learning." J Chem Inf Model. 2025;65(5):2416–2431. doi: 10.1021/acs.jcim.4c02347
• Reinshagen J, Seashore-Ludlow B, Gadiya Y, Gustavsson AL, Tanoli Z, Aittokallio T, Huchting J, Jenmalm-Jensen A, Gribbon P, Zaliani A, Ballante F. "From library to landscape: integrative annotation workflows for compound libraries in drug repurposing." Database. 2025;2025:baaf081. doi: 10.1093/database/baaf081

 

2024

• Gadiya Y., Shetty S., Hofmann-Apitius M., Gribbon P., & Zaliani A. (2024). "Exploring SureChEMBL from a drug discovery perspective." Scientific Data, 11(1). doi:10.1038/s41597-024-03371-4
• Rischke S., Schäfer S. M. G., König A., Ickelsheimer T., Köhm M., Hahnefeld L., Zaliani A., Scholich K., Pinter A., Geisslinger G., Behrens F., & Gurke R. (2024). "Metabolomic and lipidomic fingerprints in inflammatory skin diseases - Systemic illumination of atopic dermatitis, hidradenitis suppurativa and plaque psoriasis." Clinical Immunology, 265. doi: 10.1016/j.clim.2024.110305
• Gyrard A, Gribbon P, Hussein R, Abedian S, Bonmati LM, Cabornero GL, Manias G, Danciu G, Dalmiani S, Autexier S, Nuland R, Jendrossek M, Avramidis I, Alvarez EG. "Synergies Among Health Data Projects with Cancer Use Cases Based on Health Standards." Stud Health Technol Inform. 2024;316:1292–1296. doi: 10.3233/SHTI240649

 

2023

• Karki R., Gadiya Y., Gribbon P., & Zaliani A. (2023). "Pharmacophore-Based Machine Learning Model To Predict Ligand Selectivity for E3 Ligase Binders." Acs Omega, 8(33), 30177-30185. doi:10.1021/acsomega.3c0280