Novel applications of Machine Learning in cheminformatics

by Ola Spjuth
Published 2018-09-01

Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning

by Ulf Norinder, Ola Spjuth, Fredrik Svensson
Published 2021-10-01

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

by Urban Fagerholm, Sven Hellberg, Ola Spjuth
Published 2021-04-01

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

by Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth
Published 2018-10-01

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

by Stephanie Herman, Torbjörn Åkerfeldt, Ola Spjuth, Joachim Burman, Kim Kultima
Published 2019-01-01

Proteochemometric modeling of the susceptibility of mutated variants of the HIV-1 virus to reverse transcriptase inhibitors.

by Muhammad Junaid, Maris Lapins, Martin Eklund, Ola Spjuth, Jarl E S Wikberg
Published 2010-01-01

Biobank Metaportal to Enhance Collaborative Research: sail.simbioms.org

by Maria Krestyaninova, Ola Spjuth, Janna Hastings, Jörn Dietrich, Dietrich Rebholz-Schuhmann
Published 2012-08-01

Towards reproducible computational drug discovery

by Nalini Schaduangrat, Samuel Lampa, Saw Simeon, Matthew Paul Gleeson, Ola Spjuth, Chanin Nantasenamat
Published 2020-01-01

BioImg.org: A Catalog of Virtual Machine Images for the Life Sciences

by Martin Dahlö, Frédéric Haziza, Aleksi Kallio, Eija Korpelainen, Erik Bongcam-Rudloff, Ola Spjuth
Published 2015-09-01

RDFIO: extending Semantic MediaWiki for interoperable biomedical data management

by Samuel Lampa, Egon Willighagen, Pekka Kohonen, Ali King, Denny Vrandečić, Roland Grafström, Ola Spjuth
Published 2017-09-01

Efficient iterative virtual screening with Apache Spark and conformal prediction

by Laeeq Ahmed, Valentin Georgiev, Marco Capuccini, Salman Toor, Wesley Schaal, Erwin Laure, Ola Spjuth
Published 2018-03-01

A confidence predictor for logD using conformal regression and a support-vector machine

by Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth
Published 2018-04-01

Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction

by Samuel Lampa, Jonathan Alvarsson, Staffan Arvidsson Mc Shane, Arvid Berg, Ernst Ahlberg, Ola Spjuth
Published 2018-11-01

A unified proteochemometric model for prediction of inhibition of cytochrome p450 isoforms.

by Maris Lapins, Apilak Worachartcheewan, Ola Spjuth, Valentin Georgiev, Virapong Prachayasittikul, Chanin Nantasenamat, Jarl E S Wikberg
Published 2013-01-01

Assessing the calibration in toxicological in vitro models with conformal prediction

by Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
Published 2021-04-01

Biolmg.org: A Catalog of Virtual Machine Images for the Life Sciences

by Martin Dahlö, Frέdέric Haziza, Aleksi Kallio, Eija Korpelainen, Erik Bongcam-Rudloff, Ola Spjuth
Published 2015-01-01

On-demand virtual research environments using microservices

by Marco Capuccini, Anders Larsson, Matteo Carone, Jon Ander Novella, Noureddin Sadawi, Jianliang Gao, Salman Toor, Ola Spjuth
Published 2019-11-01

Origin of aromatase inhibitory activity via proteochemometric modeling

by Saw Simeon, Ola Spjuth, Maris Lapins, Sunanta Nabu, Nuttapat Anuwongcharoen, Virapong Prachayasittikul, Jarl E.S. Wikberg, Chanin Nantasenamat
Published 2016-05-01

Predicting target profiles with confidence as a service using docking scores

by Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth
Published 2020-10-01

A phenomics approach for antiviral drug discovery

by Jonne Rietdijk, Marianna Tampere, Aleksandra Pettke, Polina Georgiev, Maris Lapins, Ulrika Warpman-Berglund, Ola Spjuth, Marjo-Riitta Puumalainen, Jordi Carreras-Puigvert
Published 2021-08-01