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Ola Spjuth
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Publications
- 2019
- [c10]Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha:
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets. COPA 2019: 53-65 - [i7]Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha:
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets. CoRR abs/1908.05571 (2019) - 2018
- [j31]Fredrik Svensson, Natália Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender:
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty. J. Chem. Inf. Model. 58(5): 1132-1140 (2018) - [c9]Niharika Gauraha, Lars Carlsson, Ola Spjuth:
Conformal prediction in learning under privileged information paradigm with applications in drug discovery. COPA 2018: 147-156 - [i6]Niharika Gauraha, Lars Carlsson, Ola Spjuth:
Conformal Prediction in Learning Under Privileged Information Paradigm with Applications in Drug Discovery. CoRR abs/1803.11136 (2018) - [i3]Ola Spjuth, Lars Carlsson, Niharika Gauraha:
Aggregating Predictions on Multiple Non-disclosed Datasets using Conformal Prediction. CoRR abs/1806.04000 (2018) - 2017
- [j27]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 33:1-33:19 (2017) - [j26]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 53 (2017) - [c8]Staffan Arvidsson, Ola Spjuth, Lars Carlsson, Paolo Toccaceli:
Prediction of Metabolic Transformations using Cross Venn-ABERS Predictors. COPA 2017: 118-131 - 2015
- [j22]Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson, Ola Spjuth:
Scaling Predictive Modeling in Drug Development with Cloud Computing. J. Chem. Inf. Model. 55(1): 19-25 (2015) - [c5]Marco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth:
Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence. BDC 2015: 61-67 - [c4]Ernst Ahlberg, Ola Spjuth, Catrin Hasselgren, Lars Carlsson:
Interpretation of Conformal Prediction Classification Models. SLDS 2015: 323-334 - 2014
- [j21]Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson, Jarl E. S. Wikberg, Tobias Noeske:
Ligand-Based Target Prediction with Signature Fingerprints. J. Chem. Inf. Model. 54(10): 2647-2653 (2014) - [j20]Jonathan Alvarsson, Martin Eklund, Claes R. Andersson, Lars Carlsson, Ola Spjuth, Jarl E. S. Wikberg:
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines. J. Chem. Inf. Model. 54(11): 3211-3217 (2014) - 2013
- [j19]Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund:
Bioclipse-R: integrating management and visualization of life science data with statistical analysis. Bioinform. 29(2): 286-289 (2013) - 2011
- [j10]Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson:
Integrated Decision Support for Assessing Chemical Liabilities. J. Chem. Inf. Model. 51(8): 1840-1847 (2011) - 2010
- [j8]Lars Carlsson, Ola Spjuth, Samuel E. Adams, Robert C. Glen, Scott Boyer:
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse. BMC Bioinform. 11: 362 (2010)
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