Tietoaineistot
- 20 tulosta
Hakutulokset
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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
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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
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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
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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
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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
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Fitted BRAID and Hill functions, and cross-validation splits, for scaled-up comboKR in "Scaling up drug combination surface prediction"
Huusari, R. (Creator), Wang, T. (Creator), Szedmak, S. (Creator), Dias, D. (Contributor), Aittokallio, T. (Contributor) & Rousu, J. (Contributor), Zenodo, 17 jouluk. 2024
DOI - pysyväislinkki: 10.5281/zenodo.14509937, https://doi.org/10.5281/zenodo.14509938
Tietoaineisto: Dataset
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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
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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
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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
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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
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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
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Protein function prediction through multi-view multi-label latent tensor reconstruction
Armah-Sekum, R. E. (Creator), Szedmak, S. (Creator) & Rousu, J. (Creator), figshare, 3 toukok. 2024
DOI - pysyväislinkki: 10.6084/m9.figshare.c.7215643.v1, https://springernature.figshare.com/collections/Protein_function_prediction_through_multi-view_multi-label_latent_tensor_reconstruction/7215643/1
Tietoaineisto: Dataset
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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
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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
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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
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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), 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
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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
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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
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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
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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