Lars Carlsson

Publication Activity (10 Years)

Years Active: 2007-2024
Publications (10 Years): 32

Top Topics

Conformal Prediction

Predictive Modeling

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth
CPSign: conformal prediction for cheminformatics modeling. J. Cheminformatics 16 (1) (2024)
Simon Althoff, Johan Hallberg Szabadv'ary, Jonathan Anderson, Lars Carlsson
Evaluation of conformal-based probabilistic forecasting methods for short-term wind speed forecasting. COPA (2023)
Ulf Johansson, Henrik Boström, Khuong An Nguyen, Zhiyuan Luo, Lars Carlsson
Preface. COPA (2022)
Hannes Eriksson, Christos Dimitrakakis, Lars Carlsson
High-dimensional near-optimal experiment design for drug discovery via Bayesian sparse sampling. CoRR (2021)
Vladimir Vovk, Ivan Petej, Ilia Nouretdinov, Ernst Ahlberg, Lars Carlsson, Alexander Gammerman
Retrain or not retrain: Conformal test martingales for change-point detection. CoRR (2021)
Lars Carlsson, Zhiyuan Luo, Giovanni Cherubin, Khuong An Nguyen
Preface. COPA (2021)
Hugo Werner, Lars Carlsson, Ernst Ahlberg, Henrik Boström
Evaluation of updating strategies for conformal predictive systems in the presence of extreme events. COPA (2021)
Vladimir Vovk, Ivan Petej, Ilia Nouretdinov, Ernst Ahlberg, Lars Carlsson, Alex J. Gammerman
Retrain or not retrain: conformal test martingales for change-point detection. COPA (2021)
Vladimir Vovk, Ivan Petej, Paolo Toccaceli, Alexander Gammerman, Ernst Ahlberg, Lars Carlsson
Conformal calibrators. COPA (2020)
Hugo Werner, Lars Carlsson, Ernst Ahlberg, Henrik Boström
Evaluating different approaches to calibrating conformal predictive systems. COPA (2020)
Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets. CoRR (2019)
Ola Spjuth, Robin Carrión Brännström, Lars Carlsson, Niharika Gauraha
Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets. COPA (2019)
Noé Sturm, Jiangming Sun, Yves Vandriessche, Andreas Mayr, Günter Klambauer, Lars Carlsson, Ola Engkvist, Hongming Chen
Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models. J. Chem. Inf. Model. 59 (3) (2019)
Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
ExCAPE-DB: An Integrated Large Scale Dataset Facilitating Big Data Analysis in Chemogenomics. BNAIC/BENELEARN (2019)
Rubén Buendía, Thierry Kogej, Ola Engkvist, Lars Carlsson, Henrik Linusson, Ulf Johansson, Paolo Toccaceli, Ernst Ahlberg
Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. J. Chem. Inf. Model. 59 (3) (2019)
Alexander Gammerman, Vladimir Vovk, Henrik Boström, Lars Carlsson
Conformal and probabilistic prediction with applications: editorial. Mach. Learn. 108 (3) (2019)
Niharika Gauraha, Lars Carlsson, Ola Spjuth
Conformal prediction in learning under privileged information paradigm with applications in drug discovery. COPA (2018)
Ernst Ahlberg, Rubén Buendía, Lars Carlsson
Using Venn-Abers predictors to assess cardio-vascular risk. COPA (2018)
Ola Spjuth, Lars Carlsson, Niharika Gauraha
Aggregating Predictions on Multiple Non-disclosed Datasets using Conformal Prediction. CoRR (2018)
Niharika Gauraha, Lars Carlsson, Ola Spjuth
Conformal Prediction in Learning Under Privileged Information Paradigm with Applications in Drug Discovery. CoRR (2018)
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) (2018)
Rubén Buendía, Ola Engkvist, Lars Carlsson, Thierry Kogej, Ernst Ahlberg
Venn-Abers predictors for improved compound iterative screening in drug discovery. COPA (2018)
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) (2017)
Ernst Ahlberg, Oscar Hammar, Claus Bendtsen, Lars Carlsson
Current application of conformal prediction in drug discovery - Two useful applications. Ann. Math. Artif. Intell. 81 (1-2) (2017)
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) (2017)
Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Ola Engkvist, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J. Cheminformatics 9 (1) (2017)
Ernst Ahlberg, Susanne Winiwarter, Henrik Boström, Henrik Linusson, Tuve Löfström, Ulf Norinder, Ulf Johansson, Ola Engkvist, Oscar Hammar, Claus Bendtsen, Lars Carlsson
Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery. COPA (2017)
Jiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen
Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets. J. Chem. Inf. Model. 57 (7) (2017)
Staffan Arvidsson, Ola Spjuth, Lars Carlsson, Paolo Toccaceli
Prediction of Metabolic Transformations using Cross Venn-ABERS Predictors. COPA (2017)
Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Ola Engkvist, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J. Cheminformatics 9 (1) (2017)
Lars Carlsson, Claus Bendtsen, Ernst Ahlberg
Comparing Performance of Different Inductive and Transductive Conformal Predictors Relevant to Drug Discovery. COPA (2017)
Claus Bendtsen, Andrea Degasperi, Ernst Ahlberg, Lars Carlsson
Improving machine learning in early drug discovery. Ann. Math. Artif. Intell. 81 (1-2) (2017)
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) (2015)
Ulf Johansson, Ernst Ahlberg, Henrik Boström, Lars Carlsson, Henrik Linusson, Cecilia Sönströd
Handling Small Calibration Sets in Mondrian Inductive Conformal Regressors. SLDS (2015)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
The application of conformal prediction to the drug discovery process. Ann. Math. Artif. Intell. 74 (1-2) (2015)
Marco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth
Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence. BDC (2015)
Ernst Ahlberg, Ola Spjuth, Catrin Hasselgren, Lars Carlsson
Interpretation of Conformal Prediction Classification Models. SLDS (2015)
Lars Carlsson, Ernst Ahlberg, Henrik Boström, Ulf Johansson, Henrik Linusson
Modifications to p-Values of Conformal Predictors. SLDS (2015)
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) (2014)
Lars Carlsson, Martin Eklund, Ulf Norinder
Aggregated Conformal Prediction. AIAI Workshops (2014)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
Choosing Feature Selection and Learning Algorithms in QSAR. J. Chem. Inf. Model. 54 (3) (2014)
Marko Toplak, Rok Mocnik, Matija Polajnar, Zoran Bosnic, Lars Carlsson, Catrin Hasselgren Arnby, Janez Demsar, Scott Boyer, Blaz Zupan, Jonna C. Stålring
Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models. J. Chem. Inf. Model. 54 (2) (2014)
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer
Computational Derivation of Structural Alerts from Large Toxicology Data Sets. J. Chem. Inf. Model. 54 (10) (2014)
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) (2014)
Mats Eriksson, Hongming Chen, Lars Carlsson, J. Willem M. Nissink, John G. Cumming, Ingemar Nilsson
Beyond the Scope of Free-Wilson Analysis. 2 Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models? J. Chem. Inf. Model. 54 (4) (2014)
Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund
Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination. J. Chem. Inf. Model. 54 (6) (2014)
Jonna C. Stålring, Pedro Almeida, Lars Carlsson, Ernst Ahlberg Helgee, Catrin Hasselgren Arnby, Scott Boyer
Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients. J. Chem. Inf. Model. 53 (8) (2013)
Hongming Chen, Lars Carlsson, Mats Eriksson, Péter L. Várkonyi, Ulf Norinder, Ingemar Nilsson
Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms. J. Chem. Inf. Model. 53 (6) (2013)
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) (2013)
David J. Wood, Lars Carlsson, Martin Eklund, Ulf Norinder, Jonna C. Stålring
QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality. J. Comput. Aided Mol. Des. 27 (3) (2013)
Pablo Carbonell, Lars Carlsson, Jean-Loup Faulon
Stereo Signature Molecular Descriptor. J. Chem. Inf. Model. 53 (4) (2013)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
Application of Conformal Prediction in QSAR. AIAI (2) (2012)
Jonna C. Stålring, Lars Carlsson, Pedro Almeida, Scott Boyer
AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment. J. Cheminformatics 3 (2011)
Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson
Integrated Decision Support for Assessing Chemical Liabilities. J. Chem. Inf. Model. 51 (8) (2011)
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models. J. Chem. Inf. Model. 50 (4) (2010)
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 (2010)
Lars Carlsson, Ernst Ahlberg Helgee, Scott Boyer
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data. J. Chem. Inf. Model. 49 (11) (2009)
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer
A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data. J. Chem. Inf. Model. 49 (11) (2009)
Scott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, James Smith, Viktor Stein, Robert C. Glen
Reaction Site Mapping of Xenobiotic Biotransformations. J. Chem. Inf. Model. 47 (2) (2007)