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Items: 5

1.

Interoperable and scalable data analysis with microservices: applications in metabolomics.

Emami Khoonsari P, Moreno P, Bergmann S, Burman J, Capuccini M, Carone M, Cascante M, de Atauri P, Foguet C, Gonzalez-Beltran AN, Hankemeier T, Haug K, He S, Herman S, Johnson D, Kale N, Larsson A, Neumann S, Peters K, Pireddu L, Rocca-Serra P, Roger P, Rueedi R, Ruttkies C, Sadawi N, Salek RM, Sansone SA, Schober D, Selivanov V, Thévenot EA, van Vliet M, Zanetti G, Steinbeck C, Kultima K, Spjuth O.

Bioinformatics. 2019 Oct 1;35(19):3752-3760. doi: 10.1093/bioinformatics/btz160.

2.

PhenoMeNal: processing and analysis of metabolomics data in the cloud.

Peters K, Bradbury J, Bergmann S, Capuccini M, Cascante M, de Atauri P, Ebbels TMD, Foguet C, Glen R, Gonzalez-Beltran A, Günther UL, Handakas E, Hankemeier T, Haug K, Herman S, Holub P, Izzo M, Jacob D, Johnson D, Jourdan F, Kale N, Karaman I, Khalili B, Emami Khonsari P, Kultima K, Lampa S, Larsson A, Ludwig C, Moreno P, Neumann S, Novella JA, O'Donovan C, Pearce JTM, Peluso A, Piras ME, Pireddu L, Reed MAC, Rocca-Serra P, Roger P, Rosato A, Rueedi R, Ruttkies C, Sadawi N, Salek RM, Sansone SA, Selivanov V, Spjuth O, Schober D, Thévenot EA, Tomasoni M, van Rijswijk M, van Vliet M, Viant MR, Weber RJM, Zanetti G, Steinbeck C.

Gigascience. 2019 Feb 1;8(2). pii: giy149. doi: 10.1093/gigascience/giy149.

3.

Container-based bioinformatics with Pachyderm.

Novella JA, Emami Khoonsari P, Herman S, Whitenack D, Capuccini M, Burman J, Kultima K, Spjuth O.

Bioinformatics. 2019 Mar 1;35(5):839-846. doi: 10.1093/bioinformatics/bty699.

4.

Efficient iterative virtual screening with Apache Spark and conformal prediction.

Ahmed L, Georgiev V, Capuccini M, Toor S, Schaal W, Laure E, Spjuth O.

J Cheminform. 2018 Mar 1;10(1):8. doi: 10.1186/s13321-018-0265-z.

5.

Large-scale virtual screening on public cloud resources with Apache Spark.

Capuccini M, Ahmed L, Schaal W, Laure E, Spjuth O.

J Cheminform. 2017 Mar 6;9:15. doi: 10.1186/s13321-017-0204-4. eCollection 2017.

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