Ola Spjuth

85 papers B 1C 1Journal 68Unranked 14
YearRankTypeTitle / Venue / Authors
2025 J jnl
AI Agents in Drug Discovery.
CoRR
Srijit Seal, Dinh Long Huynh, Moudather Chelbi, Sara Khosravi, Ankur Kumar, Mattson Thieme, Isaac Wilks, Mark Davies, Jessica Mustali, Yannick Sun, Nick Edwards, Daniil Boiko, Andrei Tyrin, Douglas W. Selinger, Ayaan Parikh, Rahul Vijayan, Shoman Kasbekar, Dylan Reid, Andreas Bender, Ola Spjuth
2025 J jnl
Conformal prediction enables disease course prediction and allows individualized diagnostic uncertainty in multiple sclerosis.
npj Digit. Medicine
Akshai P. Sreenivasan, Aina Vaivade, Yassine Noui, Payam Emami Khoonsari, Joachim Burman, Ola Spjuth, Kim Kultima
2025 — conf
Minimising Source-Plate Swaps for Robotised Compound Dispensing in Microplates.
CPAIOR (1)
Ramiz Gindullin, María Andreína Francisco Rodríguez, Brinton Seashore-Ludlow, Ola Spjuth
2025 J jnl
PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules.
J. Cheminformatics
Srijit Seal, Maria-Anna Trapotsi, Manas Mahale, Vigneshwari Subramanian, Nigel Greene, Ola Spjuth, Andreas Bender
2024 J jnl
CPSign: conformal prediction for cheminformatics modeling.
J. Cheminformatics
Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth
2024 J jnl
Data management of scientific applications in a reinforcement learning-based hierarchical storage system.
Expert Syst. Appl.
Tianru Zhang, Ankit Gupta, María Andreína Francisco Rodríguez, Ola Spjuth, Andreas Hellander, Salman Toor
2024 J jnl
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank.
J. Chem. Inf. Model.
Srijit Seal, Ola Spjuth, Layla Hosseini-Gerami, Miguel García-Ortegón, Shantanu Singh, Andreas Bender, Anne E. Carpenter
2023 J jnl
Evaluating the utility of brightfield image data for mechanism of action prediction.
PLoS Comput. Biol.
Philip J. Harrison, Ankit Gupta, Jonne Rietdijk, Håkan Wieslander, Jordi Carreras Puigvert, Polina Georgiev, Carolina Wählby, Ola Spjuth, Ida-Maria Sintorn
2023 J jnl
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
J. Cheminformatics
Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, Satvik Singh, Jordi Carreras Puigvert, Ola Spjuth, Andreas Bender
2022 J jnl
Predicting protein network topology clusters from chemical structure using deep learning.
J. Cheminformatics
Akshai P. Sreenivasan, Philip J. Harrison, Wesley Schaal, Damian J. Matuszewski, Kim Kultima, Ola Spjuth
2022 B conf
Scalable federated machine learning with FEDn.
CCGRID
Morgan Ekmefjord, Addi Ait-Mlouk, Sadi Alawadi, Mattias Åkesson, Prashant Singh, Ola Spjuth, Salman Toor, Andreas Hellander
2022 J jnl
SimVec: predicting polypharmacy side effects for new drugs.
J. Cheminformatics
Nina Lukashina, Elena Kartysheva, Ola Spjuth, Elizaveta Virko, Aleksei Shpilman
2021 J jnl
Approaches for containerized scientific workflows in cloud environments with applications in life science.
F1000Research
Ola Spjuth, Marco Capuccini, Matteo Carone, Anders Larsson, Wesley Schaal, Jon Ander Novella, Oliver Stein, Morgan Ekmefjord, Paolo Di Tommaso, Evan W. Floden, Cédric Notredame, Pablo A. Moreno, Andreas Hellander, Payam Emami Khoonsari, Stephanie Herman, Kim Kultima, Samuel Lampa
2021 J jnl
Assessing the calibration in toxicological in vitro models with conformal prediction.
J. Cheminformatics
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
2021 J jnl
Deep Learning With Conformal Prediction for Hierarchical Analysis of Large-Scale Whole-Slide Tissue Images.
IEEE J. Biomed. Health Informatics
Håkan Wieslander, Philip J. Harrison, Gabriel Skogberg, Sonya Jackson, Hakan Fridén, Johan Karlsson, Ola Spjuth, Carolina Wählby
2021 J jnl
Machine Learning Strategies When Transitioning between Biological Assays.
J. Chem. Inf. Model.
Staffan Arvidsson McShane, Ernst Ahlberg, Tobias Noeske, Ola Spjuth
2021 J jnl
Scalable federated machine learning with FEDn.
CoRR
Morgan Ekmefjord, Addi Ait-Mlouk, Sadi Alawadi, Mattias Åkesson, Desislava Stoyanova, Ola Spjuth, Salman Toor, Andreas Hellander
2021 C conf
Synergy Conformal Prediction for Regression.
ICPRAM
Niharika Gauraha, Ola Spjuth
2021 J jnl
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.
J. Cheminformatics
Ulf Norinder, Ola Spjuth, Fredrik Svensson
2021 — conf
Synergy conformal prediction.
COPA
Niharika Gauraha, Ola Spjuth
2021 J jnl
scConnect: a method for exploratory analysis of cell-cell communication based on single-cell RNA-sequencing data.
Bioinform.
Jon E. T. Jakobsson, Ola Spjuth, Malin C. Lagerström
2020 J jnl
Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling".
J. Chem. Inf. Model.
Ulf Norinder, Ola Spjuth, Fredrik Svensson
2020 J jnl
Predicting target profiles with confidence as a service using docking scores.
J. Cheminformatics
Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth
2020 — conf
Smart Resource Management for Data Streaming using an Online Bin-packing Strategy.
IEEE BigData
Oliver Stein, Ben Blamey, Johan Karlsson, Alan Sabirsh, Ola Spjuth, Andreas Hellander, Salman Toor
2020 J jnl
Smart Resource Management for Data Streaming using an Online Bin-packing Strategy.
CoRR
Oliver Stein, Ben Blamey, Johan Karlsson, Alan Sabirsh, Ola Spjuth, Andreas Hellander, Salman Toor
2020 J jnl
Towards reproducible computational drug discovery.
J. Cheminformatics
Nalini Schaduangrat, Samuel Lampa, Saw Simeon, Matthew Paul Gleeson, Ola Spjuth, Chanin Nantasenamat
2020 J jnl
Using Predicted Bioactivity Profiles to Improve Predictive Modeling.
J. Chem. Inf. Model.
Ulf Norinder, Ola Spjuth, Fredrik Svensson
2019 — conf
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets.
COPA
Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha
2019 J jnl
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets.
CoRR
Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha
2019 J jnl
Container-based bioinformatics with Pachyderm.
Bioinform.
Jon Ander Novella, Payam Emami Khoonsari, Stephanie Herman, Daniel Whitenack, Marco Capuccini, Joachim Burman, Kim Kultima, Ola Spjuth
2019 J jnl
Interoperable and scalable data analysis with microservices: applications in metabolomics.
Bioinform.
Payam Emami Khoonsari, Pablo A. Moreno, Sven Bergmann, Joachim Burman, Marco Capuccini, Matteo Carone, Marta Cascante, Pedro de Atauri, Carles Foguet, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Sijin He, Stephanie Herman, David Johnson, Namrata Kale, Anders Larsson, Steffen Neumann, Kristian Peters, Luca Pireddu, Philippe Rocca-Serra, Pierrick Roger, Rico Rueedi, Christoph Ruttkies, Noureddin Sadawi, Reza M. Salek, Susanna-Assunta Sansone, Daniel Schober, Vitaly A. Selivanov, Etienne A. Thévenot, Michael van Vliet, Gianluigi Zanetti, Christoph Steinbeck, Kim Kultima, Ola Spjuth
2019 J jnl
On-demand virtual research environments using microservices.
PeerJ Comput. Sci.
Marco Capuccini, Anders Larsson, Matteo Carone, Jon Ander Novella, Noureddin Sadawi, Jianliang Gao, Salman Toor, Ola Spjuth
2019 J jnl
SciPipe - Turning Scientific Workflows into Computer Programs.
Comput. Sci. Eng.
Samuel Lampa, Martin Dahlö, Jonathan Alvarsson, Ola Spjuth
2019 — conf
Split knowledge transfer in learning under privileged information framework.
COPA
Niharika Gauraha, Fabian Söderdahl, Ola Spjuth
2018 J jnl
A confidence predictor for logD using conformal regression and a support-vector machine.
J. Cheminformatics
Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth
2018 J jnl
Aggregating Predictions on Multiple Non-disclosed Datasets using Conformal Prediction.
CoRR
Ola Spjuth, Lars Carlsson, Niharika Gauraha
2018 J jnl
Conformal Prediction in Learning Under Privileged Information Paradigm with Applications in Drug Discovery.
CoRR
Niharika Gauraha, Lars Carlsson, Ola Spjuth
2018 J jnl
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty.
J. Chem. Inf. Model.
Fredrik Svensson, Natália Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender
2018 — conf
Conformal prediction in learning under privileged information paradigm with applications in drug discovery.
COPA
Niharika Gauraha, Lars Carlsson, Ola Spjuth
2018 J jnl
Efficient iterative virtual screening with Apache Spark and conformal prediction.
J. Cheminformatics
Laeeq Ahmed, Valentin Georgiev, Marco Capuccini, Salman Zubair Toor, Wesley Schaal, Erwin Laure, Ola Spjuth
2018 J jnl
Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
J. Cheminformatics
Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth
2018 J jnl
KubeNow: an On-Demand Cloud-Agnostic Platform for Microservices-Based Research Environments.
CoRR
Marco Capuccini, Anders Larsson, Matteo Carone, Jon Ander Novella, Noureddin Sadawi, Jianliang Gao, Salman Zubair Toor, Ola Spjuth
2018 J jnl
MaRe: Container-Based Parallel Computing with Data Locality.
CoRR
Marco Capuccini, Salman Zubair Toor, Staffan Arvidsson, Ola Spjuth
2018 J jnl
Novel applications of Machine Learning in cheminformatics.
J. Cheminformatics
Ola Spjuth
2018 J jnl
conformalClassification: A Conformal Prediction R Package for Classification.
CoRR
Niharika Gauraha, Ola Spjuth
2017 J jnl
E-Science technologies in a workflow for personalized medicine using cancer screening as a case study.
J. Am. Medical Informatics Assoc.
Ola Spjuth, Andreas Karlsson, Mark Clements, Keith Humphreys, Emma Ivansson, Jim Dowling, Martin Eklund, Alexandra Jauhiainen, Kamila Czene, Henrik Gronberg, Pär Sparén, Fredrik Wiklund, Abbas Cheddad, þorgerður Pálsdóttir, Mattias Rantalainen, Linda Abrahamsson, Erwin Laure, Jan-Eric Litton, Juni Palmgren
2017 J jnl
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2017 — conf
KubeNow: A Cloud Agnostic Platform for Microservice-Oriented Applications.
ICCSW
Marco Capuccini, Anders Larsson, Salman Zubair Toor, Ola Spjuth
2017 J jnl
Large-scale virtual screening on public cloud resources with Apache Spark.
J. Cheminformatics
Marco Capuccini, Laeeq Ahmed, Wesley Schaal, Erwin Laure, Ola Spjuth
2017 — conf
Prediction of Metabolic Transformations using Cross Venn-ABERS Predictors.
COPA
Staffan Arvidsson, Ola Spjuth, Lars Carlsson, Paolo Toccaceli
2017 J jnl
RDFIO: extending Semantic MediaWiki for interoperable biomedical data management.
J. Biomed. Semant.
Samuel Lampa, Egon L. Willighagen, Pekka Kohonen, Ali King, Denny Vrandecic, Roland Grafstrom, Ola Spjuth
2017 — conf
SNIC Science Cloud (SSC): A National-Scale Cloud Infrastructure for Swedish Academia.
eScience
Salman Zubair Toor, Mathias Lindberg, Ingemar Falman, Andreas Vallin, Olof Mohill, Pontus Freyhult, Linus Nilsson, Martin Agback, Lars Viklund, Henric Zazzik, Ola Spjuth, Marco Capuccini, Joakim Moller, Donal Murtagh, Andreas Hellander
2017 J jnl
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2017 J jnl
The future of metabolomics in ELIXIR.
F1000Research
Merlijn N. van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez Del Angel, Warwick B. Dunn, Timothy M. D. Ebbels, Franck Giacomoni, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Jose L. Izquierdo-García, Rafael C. Jiménez, Fabien Jourdan, Namrata Kale, Maria I. Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Nicholas K. Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M. Salek, Susanna-Assunta Sansone, Venkata P. Satagopam, Daniel Schober, Ruth Shimmo, Rachel A. Spicer, Ola Spjuth, Etienne A. Thévenot, Mark R. Viant, Ralf J. M. Weber, Egon L. Willighagen, Gianluigi Zanetti, Christoph Steinbeck
2016 J jnl
Large-scale ligand-based predictive modelling using support vector machines.
J. Cheminformatics
Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth
2016 J jnl
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.
J. Cheminformatics
Samuel Lampa, Jonathan Alvarsson, Ola Spjuth
2016 J jnl
XMetDB: an open access database for xenobiotic metabolism.
J. Cheminformatics
Ola Spjuth, Patrik Rydberg, Egon L. Willighagen, Chris T. A. Evelo, Nina Jeliazkova
2015 — conf
Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence.
BDC
Marco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth
2015 — conf
Interpretation of Conformal Prediction Classification Models.
SLDS
Ernst Ahlberg, Ola Spjuth, Catrin Hasselgren, Lars Carlsson
2015 J jnl
Scaling Predictive Modeling in Drug Development with Cloud Computing.
J. Chem. Inf. Model.
Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson, Ola Spjuth
2014 J jnl
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines.
J. Chem. Inf. Model.
Jonathan Alvarsson, Martin Eklund, Claes R. Andersson, Lars Carlsson, Ola Spjuth, Jarl E. S. Wikberg
2014 — conf
Data Integration between Swedish National Clinical Health Registries and Biobanks Using an Availability System.
DILS
Ola Spjuth, Jani Heikkinen, Jan-Eric Litton, Juni Palmgren, Maria Krestyaninova
2014 — conf
HTSeq-Hadoop: Extending HTSeq for Massively Parallel Sequencing Data Analysis Using Hadoop.
eScience
Alexey Siretskiy, Ola Spjuth
2014 J jnl
Ligand-Based Target Prediction with Signature Fingerprints.
J. Chem. Inf. Model.
Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson, Jarl E. S. Wikberg, Tobias Noeske
2013 J jnl
Applications of the InChI in cheminformatics with the CDK and Bioclipse.
J. Cheminformatics
Ola Spjuth, Arvid Berg, Samuel E. Adams, Egon L. Willighagen
2013 J jnl
Automated QuantMap for rapid quantitative molecular network topology analysis.
Bioinform.
Wesley Schaal, Ulf Hammerling, Mats G. Gustafsson, Ola Spjuth
2013 J jnl
Bioclipse-R: integrating management and visualization of life science data with statistical analysis.
Bioinform.
Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund
2013 J jnl
The ChEMBL database as linked open data.
J. Cheminformatics
Egon L. Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J. Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J. Wild
2013 — conf
Using Iterative MapReduce for Parallel Virtual Screening.
CloudCom (2)
Laeeq Ahmed, Åke Edlund, Erwin Laure, Ola Spjuth
2013 J jnl
WhichCyp: prediction of cytochromes P450 inhibition.
Bioinform.
Michal Rostkowski, Ola Spjuth, Patrik Rydberg
2011 J jnl
Brunn: An open source laboratory information system for microplates with a graphical plate layout design process.
BMC Bioinform.
Jonathan Alvarsson, Claes R. Andersson, Ola Spjuth, Rolf Larsson, Jarl E. S. Wikberg
2011 J jnl
Integrated Decision Support for Assessing Chemical Liabilities.
J. Chem. Inf. Model.
Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson
2011 J jnl
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
J. Biomed. Semant.
Egon L. Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa, Maris Lapins, Ola Spjuth, Jarl E. S. Wikberg
2011 J jnl
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
J. Cheminformatics
Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
2011 J jnl
Services for prediction of drug susceptibility for HIV proteases and reverse transcriptases at the HIV drug research centre.
Bioinform.
Ola Spjuth, Martin Eklund, Maris Lapins, Muhammad Junaid, Jarl E. S. Wikberg
2010 J jnl
An eScience-Bayes strategy for analyzing omics data.
BMC Bioinform.
Martin Eklund, Ola Spjuth, Jarl E. S. Wikberg
2010 J jnl
Towards interoperable and reproducible QSAR analyses: Exchange of datasets.
J. Cheminformatics
Ola Spjuth, Egon L. Willighagen, Rajarshi Guha, Martin Eklund, Jarl E. S. Wikberg
2010 J jnl
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.
BMC Bioinform.
Lars Carlsson, Ola Spjuth, Samuel E. Adams, Robert C. Glen, Scott Boyer
2009 J jnl
Bioclipse 2: A scriptable integration platform for the life sciences.
BMC Bioinform.
Ola Spjuth, Jonathan Alvarsson, Arvid Berg, Martin Eklund, Stefan Kuhn, Carl Mäsak, Gilleain M. Torrance, Johannes Wagener, Egon L. Willighagen, Christoph Steinbeck, Jarl E. S. Wikberg
2009 — —
Bioclipse: Integration of Data and Software in the Life Sciences.
Ola Spjuth
2009 J jnl
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services.
BMC Bioinform.
Johannes Wagener, Ola Spjuth, Egon L. Willighagen, Jarl E. S. Wikberg
2008 J jnl
Proteochemometric modeling of HIV protease susceptibility.
BMC Bioinform.
Maris Lapins, Martin Eklund, Ola Spjuth, Peteris Prusis, Jarl E. S. Wikberg
2008 J jnl
The
BMC Bioinform.
Martin Eklund, Ola Spjuth, Jarl E. S. Wikberg
2007 J jnl
Bioclipse: an open source workbench for chemo- and bioinformatics.
BMC Bioinform.
Ola Spjuth, Tobias Helmus, Egon L. Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter Murray-Rust, Christoph Steinbeck, Jarl E. S. Wikberg
2006 J jnl
The LCB Data Warehouse.
Bioinform.
Adam Ameur, Vladimir Yankovski, Stefan Enroth, Ola Spjuth, Henryk Jan Komorowski