Novel applications of Machine Learning in cheminformatics

by Spjuth, Ola
Published in J Cheminform (2018)

Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles

by Lampa, Samuel, Alvarsson, Jonathan, Spjuth, Ola
Published in J Cheminform (2016)

Advances in Predictions of Oral Bioavailability of Candidate Drugs in Man with New Machine Learning Methodology

by Fagerholm, Urban, Hellberg, Sven, Spjuth, Ola
Published in Molecules (2021)

The C(1)C(2): A framework for simultaneous model selection and assessment

by Eklund, Martin, Spjuth, Ola, Wikberg, Jarl ES
Published 2008

An eScience-Bayes strategy for analyzing omics data

by Eklund, Martin, Spjuth, Ola, Wikberg, Jarl ES
Published 2010

Transfer Learning with Deep Convolutional Neural Networks for Classifying Cellular Morphological Changes

by Kensert, Alexander, Harrison, Philip J., Spjuth, Ola
Published in SLAS Discov (2019)

A quantitative assessment of the Hadoop framework for analyzing massively parallel DNA sequencing data

by Siretskiy, Alexey, Sundqvist, Tore, Voznesenskiy, Mikhail, Spjuth, Ola
Published in Gigascience (2015)

Erratum to: A quantitative assessment of the Hadoop framework for analyzing massively parallel DNA sequencing data

by Siretskiy, Alexey, Sundqvist, Tore, Voznesenskiy, Mikhail, Spjuth, Ola
Published in Gigascience (2015)

SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines

by Lampa, Samuel, Dahlö, Martin, Alvarsson, Jonathan, Spjuth, Ola
Published in Gigascience (2019)

Evaluating parameters for ligand-based modeling with random forest on sparse data sets

by Kensert, Alexander, Alvarsson, Jonathan, Norinder, Ulf, Spjuth, Ola
Published in J Cheminform (2018)

MaRe: Processing Big Data with application containers on Apache Spark

by Capuccini, Marco, Dahlö, Martin, Toor, Salman, Spjuth, Ola
Published in Gigascience (2020)

Applications of the InChI in cheminformatics with the CDK and Bioclipse

by Spjuth, Ola, Berg, Arvid, Adams, Samuel, Willighagen, Egon L
Published 2013

Automated QuantMap for rapid quantitative molecular network topology analysis

by Schaal, Wesley, Hammerling, Ulf, Gustafsson, Mats G., Spjuth, Ola
Published 2013

Tracking the NGS revolution: managing life science research on shared high-performance computing clusters

by Dahlö, Martin, Scofield, Douglas G, Schaal, Wesley, Spjuth, Ola
Published in Gigascience (2018)

XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services

by Willighagen Egon L, Spjuth Ola, Wagener Johannes, Wikberg Jarl ES
Published 2009-09-01

XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services

by Wagener, Johannes, Spjuth, Ola, Willighagen, Egon L, Wikberg, Jarl ES
Published 2009

Large-scale virtual screening on public cloud resources with Apache Spark

by Capuccini, Marco, Ahmed, Laeeq, Schaal, Wesley, Laure, Erwin, Spjuth, Ola
Published in J Cheminform (2017)

Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing–Remitting Multiple Sclerosis

by Herman, Stephanie, Åkerfeldt, Torbjörn, Spjuth, Ola, Burman, Joachim, Kultima, Kim
Published in Cells (2019)

Machine Learning Strategies When Transitioning between Biological Assays

by Arvidsson McShane, Staffan, Ahlberg, Ernst, Noeske, Tobias, Spjuth, Ola
Published in J Chem Inf Model (2021)

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

by Glen Robert C, Adams Samuel, Spjuth Ola, Carlsson Lars, Boyer Scott
Published 2010-07-01