Professorship Rousu Juho

Hakutulokset

• Dataset: "Probabilistic Framework for Integration of Mass Spectrum and Retention Time Information in Small Molecule Identification"

  Bach, E. (Creator), Zenodo, 1 huhtik. 2020

  DOI - pysyväislinkki: 10.5281/zenodo.4305918

  Tietoaineisto: Dataset

• Result files (ALLDATA): "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data with LC-MS²Struct"

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.6036207

  Tietoaineisto: Dataset

• aalto-ics-kepaco/msms_rt_score_integration: Relase for the Bioinformatics publication

  Bach, E. (Creator), Zenodo, 2020

  DOI - pysyväislinkki: 10.5281/zenodo.4306269, https://doi.org/10.5281/zenodo.4306270

  Tietoaineisto: Ohjelmisto tai koodi

• Result files (ONLYSTEREO): "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data"

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.6037628

  Tietoaineisto: Dataset

• aalto-ics-kepaco/lcms2struct_exp: Nature Machine Intelligence

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7043686, https://zenodo.org/record/7057255

  Tietoaineisto: Ohjelmisto tai koodi

• massbank2db: Build a machine learning ready SQLite database from MassBank

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7029737

  Tietoaineisto: Ohjelmisto tai koodi

• Metabolite identification dataset: "Magnitude-Preserving Ranking for Structured Outputs" Brouard et al. (2017)

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7189944, https://zenodo.org/record/7189944

  Tietoaineisto: Dataset

• LC-MS² meta data for each MassBank (MB) subset

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7056047, https://zenodo.org/record/7056047

  Tietoaineisto: Dataset

• MassBank/MassBank-data: Release version 2021.12

  Schulze, T. (Creator), Meier, R. (Creator), Alygizakis, N. (Creator), Schymanski, E. (Creator), Bach, E. (Creator), Tanaka, S. (Creator) & Witting, M. (Creator), Zenodo, 2021

  DOI - pysyväislinkki: 10.5281/zenodo.3378723, https://zenodo.org/record/5775684

  Tietoaineisto: Ohjelmisto tai koodi

• CamOptimus

  Cankorur-Cetinkaya, A. (Contributor), Dias, J. M. L. (Contributor), Kludas, J. (Creator), Slater, N. K. H. (Contributor), Rousu, J. (Creator), Oliver, S. G. (Contributor) & Dikicioglu, D. (Contributor), Apollo - University of Cambridge Repository , 1 tammik. 2016

  DOI - pysyväislinkki: 10.17863/cam.10257, https://www.repository.cam.ac.uk/handle/1810/265930

  Tietoaineisto: Dataset

• Retention Order Support Vector Machine (ROSVM)

  Bach, E. (Creator), Zenodo, 2021

  DOI - pysyväislinkki: 10.5281/zenodo.7029743, https://zenodo.org/record/7029744

  Tietoaineisto: Ohjelmisto tai koodi

• cdk/cdk: CDK 2.8

  Mayfield, J. (Creator), Willighagen, E. (Creator), Guha, R. (Creator), Ujihara, K. (Creator), Rahman, S. A. (Creator), Alvarsson, J. (Creator), Williamson, M. J. (Creator), Gražulis, S. (Creator), Katzel, D. (Creator), Pluskal, T. (Creator), Linn, X. (Creator), Wei, Y. C. (Creator), Szisz, D. (Creator), Uli (Creator), Kochev, N. (Creator), Clark, A. (Creator), Berg, A. (Creator), Bach, E. (Creator), Jeliazkova, N. (Creator), Stephan, R. (Creator), Jönsson, K. (Creator), Dole, K. (Creator), Stueker, O. (Creator), Wenk, M. (Creator), Katsubo, D. (Creator) & Burgoon, L. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.592588, https://zenodo.org/record/7079512

  Tietoaineisto: Ohjelmisto tai koodi

• Profiling persistent tubercule bacilli from patient sputa during therapy predicts early drug efficacy

  Honeyborne, I. (Contributor), McHugh, T. D. (Contributor), Kuittinen, I. (Contributor), Cichonska, A. (Creator), Evangelopoulos, D. (Contributor), Ronacher, K. (Contributor), van Helden, P. D. (Contributor), Gillespie, S. H. (Contributor), Fernandez-Reyes, D. (Contributor), Walzl, G. (Contributor), Rousu, J. (Contributor), Butcher, P. D. (Contributor) & Waddell, S. J. (Contributor), figshare, 1 tammik. 2016

  DOI - pysyväislinkki: 10.6084/m9.figshare.c.3628568.v1, https://figshare.com/collections/Profiling_persistent_tubercule_bacilli_from_patient_sputa_during_therapy_predicts_early_drug_efficacy/3628568/1

  Tietoaineisto: Dataset

• Drug combination data used for comboLTR in "Modeling drug combination effects via latent tensor reconstruction"

  Wang, T. (Creator), Szedmak, S. (Creator), Wang, H. (Creator), Aittokallio, T. (Creator), Pahikkala, T. (Creator), Cichonska, A. (Creator) & Rousu, J. (Creator), Zenodo, 2021

  DOI - pysyväislinkki: 10.5281/zenodo.4625083, https://zenodo.org/record/4625084

  Tietoaineisto: Dataset

• Critical Assessment of Small Molecule Identification 2016: automated methods

  Schymanski, E. L. (Creator), Ruttkies, C. (Creator), Krauss, M. (Creator), Brouard, C. (Creator), Kind, T. (Creator), Dührkop, K. (Creator), Allen, F. (Creator), Vaniya, A. (Creator), Verdegem, D. (Creator), Böcker, S. (Creator), Rousu, J. (Creator), Shen, H. (Creator), Tsugawa, H. (Creator), Sajed, T. (Creator), Fiehn, O. (Creator), Ghesquière, B. (Creator) & Neumann, S. (Creator), figshare, 28 maalisk. 2017

  DOI - pysyväislinkki: 10.6084/m9.figshare.c.3727522.v1, https://figshare.com/collections/Critical_Assessment_of_Small_Molecule_Identification_2016_automated_methods/3727522/1

  Tietoaineisto: Dataset

• Data used in "Fast metabolite identification with Input Output Kernel Regression"

  Brouard, C. (Creator), Shen, H. (Creator), Dührkop, K. (Contributor), d'Alché-Buc, F. (Contributor), Böcker, S. (Contributor) & Rousu, J. (Contributor), Zenodo, 2017

  DOI - pysyväislinkki: 10.5281/zenodo.804240, https://zenodo.org/record/804241

  Tietoaineisto: Dataset

• Dataset: "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data"

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.5854660, https://doi.org/10.1101/2022.02.11.480137

  Tietoaineisto: Dataset

• aalto-ics-kepaco/msms_rt_ssvm: Final source code for Nature Machine Intelligence

  Bach, E. (Creator), Zenodo, 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7029706, https://zenodo.org/record/7029714

  Tietoaineisto: Ohjelmisto tai koodi