Lars Carlsson

Orcid: 0000-0001-9491-4134

According to our database1, Lars Carlsson authored at least 56 papers between 2007 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2024
CPSign: conformal prediction for cheminformatics modeling.
J. Cheminformatics, December, 2024

2023
Evaluation of conformal-based probabilistic forecasting methods for short-term wind speed forecasting.
Proceedings of the Conformal and Probabilistic Prediction with Applications, 2023

2022
Preface.
Proceedings of the Conformal and Probabilistic Prediction with Applications, 2022

2021
High-dimensional near-optimal experiment design for drug discovery via Bayesian sparse sampling.
CoRR, 2021

Evaluation of updating strategies for conformal predictive systems in the presence of extreme events.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2021

Retrain or not retrain: conformal test martingales for change-point detection.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2021

Preface.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2021

2020
Evaluating different approaches to calibrating conformal predictive systems.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2020

Conformal calibrators.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2020

2019
Conformal and probabilistic prediction with applications: editorial.
Mach. Learn., 2019

Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models.
J. Chem. Inf. Model., 2019

Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors.
J. Chem. Inf. Model., 2019

Combining Prediction Intervals on Multi-Source Non-Disclosed Regression Datasets.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2019

ExCAPE-DB: An Integrated Large Scale Dataset Facilitating Big Data Analysis in Chemogenomics.
Proceedings of the 31st Benelux Conference on Artificial Intelligence (BNAIC 2019) and the 28th Belgian Dutch Conference on Machine Learning (Benelearn 2019), 2019

2018
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty.
J. Chem. Inf. Model., 2018

Aggregating Predictions on Multiple Non-disclosed Datasets using Conformal Prediction.
CoRR, 2018

Conformal prediction in learning under privileged information paradigm with applications in drug discovery.
Proceedings of the 7th Symposium on Conformal and Probabilistic Prediction and Applications, 2018

Venn-Abers predictors for improved compound iterative screening in drug discovery.
Proceedings of the 7th Symposium on Conformal and Probabilistic Prediction and Applications, 2018

Using Venn-Abers predictors to assess cardio-vascular risk.
Proceedings of the 7th Symposium on Conformal and Probabilistic Prediction and Applications, 2018

2017
Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets.
J. Chem. Inf. Model., July, 2017

Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics, 2017

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics, 2017

Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics.
J. Cheminformatics, 2017

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics.
J. Cheminformatics, 2017

Improving machine learning in early drug discovery.
Ann. Math. Artif. Intell., 2017

Current application of conformal prediction in drug discovery - Two useful applications.
Ann. Math. Artif. Intell., 2017

Comparing Performance of Different Inductive and Transductive Conformal Predictors Relevant to Drug Discovery.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017

Prediction of Metabolic Transformations using Cross Venn-ABERS Predictors.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017

Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery.
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017

2015
Scaling Predictive Modeling in Drug Development with Cloud Computing.
J. Chem. Inf. Model., 2015

The application of conformal prediction to the drug discovery process.
Ann. Math. Artif. Intell., 2015

Handling Small Calibration Sets in Mondrian Inductive Conformal Regressors.
Proceedings of the Statistical Learning and Data Sciences - Third International Symposium, 2015

Modifications to p-Values of Conformal Predictors.
Proceedings of the Statistical Learning and Data Sciences - Third International Symposium, 2015

Interpretation of Conformal Prediction Classification Models.
Proceedings of the Statistical Learning and Data Sciences - Third International Symposium, 2015

Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence.
Proceedings of the 2nd IEEE/ACM International Symposium on Big Data Computing, 2015

2014
Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models.
J. Chem. Inf. Model., 2014

Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination.
J. Chem. Inf. Model., 2014

Computational Derivation of Structural Alerts from Large Toxicology Data Sets.
J. Chem. Inf. Model., 2014

Beyond the Scope of Free-Wilson Analysis. 2 Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?
J. Chem. Inf. Model., 2014

Choosing Feature Selection and Learning Algorithms in QSAR.
J. Chem. Inf. Model., 2014

Ligand-Based Target Prediction with Signature Fingerprints.
J. Chem. Inf. Model., 2014

Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines.
J. Chem. Inf. Model., 2014

Aggregated Conformal Prediction.
Proceedings of the Artificial Intelligence Applications and Innovations, 2014

2013
Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients.
J. Chem. Inf. Model., 2013

Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms.
J. Chem. Inf. Model., 2013

Stereo Signature Molecular Descriptor.
J. Chem. Inf. Model., 2013

QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality.
J. Comput. Aided Mol. Des., 2013

Bioclipse-R: integrating management and visualization of life science data with statistical analysis.
Bioinform., 2013

2012
Application of Conformal Prediction in QSAR.
Proceedings of the Artificial Intelligence Applications and Innovations, 2012

2011
Integrated Decision Support for Assessing Chemical Liabilities.
J. Chem. Inf. Model., 2011

AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment.
J. Cheminformatics, 2011

2010
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models.
J. Chem. Inf. Model., 2010

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.
BMC Bioinform., 2010

2009
A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data.
J. Chem. Inf. Model., 2009

Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data.
J. Chem. Inf. Model., 2009

2007
Reaction Site Mapping of Xenobiotic Biotransformations.
J. Chem. Inf. Model., 2007


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