Hakutulokset

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

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

  DOI - pysyväislinkki: 10.5281/zenodo.4305918

  Tietoaineisto: Dataset

• 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), 2022

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

  Tietoaineisto: Ohjelmisto tai koodi

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

  Bach, E. (Creator), 2022

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

  Tietoaineisto: Ohjelmisto tai koodi

• 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), 2021

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

  Tietoaineisto: Ohjelmisto tai koodi

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

  Bach, E. (Creator), 2022

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

  Tietoaineisto: Dataset

• Retention Order Support Vector Machine (ROSVM)

  Bach, E. (Creator), 2021

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

  Tietoaineisto: Ohjelmisto tai koodi

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

  Bach, E. (Creator), 2022

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

  Tietoaineisto: Dataset

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

  Bach, E. (Creator), 2022

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

  Tietoaineisto: Ohjelmisto tai koodi

• 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), 2022

  DOI - pysyväislinkki: 10.5281/zenodo.6036207

  Tietoaineisto: Dataset

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

  Bach, E. (Creator), 2022

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

  Tietoaineisto: Dataset

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

  Bach, E. (Creator), 2020

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

  Tietoaineisto: Ohjelmisto tai koodi

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

  Bach, E. (Creator), 2022

  DOI - pysyväislinkki: 10.5281/zenodo.7029737

  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), 2022

  DOI - pysyväislinkki: 10.5281/zenodo.6037628

  Tietoaineisto: Dataset