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Lista de obras de Ola Spjuth

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

artículo científico publicado en 2018

A novel infrastructure for chemical safety predictions with focus on human health

A phenomics approach for antiviral drug discovery

artículo científico publicado en 2021

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

artículo científico publicado en 2015

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

artículo científico publicado en 2013

Accessing, Using, and Creating Chemical Property Databases for Computational Toxicology Modeling

artículo científico publicado en 2012

Alterations in the tyrosine and phenylalanine pathways revealed by biochemical profiling in cerebrospinal fluid of Huntington's disease subjects

An eScience-Bayes strategy for analyzing omics data

artículo científico publicado en 2010

Applications of the InChI in cheminformatics with the CDK and Bioclipse

artículo científico publicado en 2013

Approaches for containerized scientific workflows in cloud environments with applications in life science

Automated QuantMap for rapid quantitative molecular network topology analysis

artículo científico publicado en 2013

Benchmarking study of parameter variation when using signature fingerprints together with support vector machines

artículo científico publicado en 2014

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

artículo científico publicado en 2015

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

Bioclipse 2: a scriptable integration platform for the life sciences ⬇️

artículo científico publicado en 2009

Bioclipse-R: integrating management and visualization of life science data with statistical analysis

artículo científico publicado en 2013

Bioclipse: an open source workbench for chemo- and bioinformatics ⬇️

artículo científico publicado en 2007

Brunn: an open source laboratory information system for microplates with a graphical plate layout design process

artículo científico publicado en 2011

Cancer Biology, Toxicology and Alternative Methods Development Go Hand-in-Hand

artículo científico publicado en 2014

ChemInform Abstract: Open Source Drug Discovery with Bioclipse

Chemoinformatics Taking Biology into Account: Proteochemometrics

Collaborative Cheminformatics Applications

Collaborative Computational Technologies for Biomedical Research

Computational toxicology using the OpenTox application programming interface and Bioclipse

artículo científico publicado en 2011

Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence

scholarly article published December 2015

Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty

artículo científico publicado en 2018

Container-based bioinformatics with Pachyderm

artículo científico publicado en 2019

Container-based bioinformatics with Pachyderm

Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling"

artículo científico publicado en 2020

Data Integration between Swedish National Clinical Health Registries and Biobanks Using an Availability System

article

Deep Learning in Image Cytometry: A Review

scholarly article by Anindya Gupta et al published 19 December 2018 in Cytometry Part A

Deep learning and conformal prediction for hierarchical analysis of large-scale whole-slide tissue images

artículo científico publicado en 2020

E-Science technologies in a workflow for personalized medicine using cancer screening as a case study

artículo científico publicado en 2017

ELIXIR and Toxicology: a community in development

ELIXIR and Toxicology: a community in development

artículo científico publicado en 2023

Efficient iterative virtual screening with Apache Spark and conformal prediction.

artículo científico publicado en 2018

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

artículo científico publicado en 2015

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

artículo científico publicado en 2017

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

scientific article published on 11 October 2018

Experiences with workflows for automating data-intensive bioinformatics

artículo científico publicado en 2015

Food for thought ... A toxicology ontology roadmap

artículo científico

From biomedical cloud platforms to microservices: next steps in FAIR data and analysis

artículo científico publicado en 2022

Galaxy-Kubernetes integration: scaling bioinformatics workflows in the cloud

HTSeq-Hadoop: Extending HTSeq for Massively Parallel Sequencing Data Analysis Using Hadoop

Harmonising and linking biomedical and clinical data across disparate data archives to enable integrative cross-biobank research

artículo científico publicado en 2016

Integrated decision support for assessing chemical liabilities

artículo científico publicado en 2011

Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection

artículo científico publicado en 2022

Integration of magnetic resonance imaging and protein and metabolite CSF measurements to enable early diagnosis of secondary progressive multiple sclerosis

Interactive predictive toxicology with Bioclipse and OpenTox ⬇️

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

scientific article published in 2019

Interpretation of Conformal Prediction Classification Models

Introduction to Pharmaceutical Bioinformatics

Third edition of the book originally published in 2010

Large-scale ligand-based predictive modelling using support vector machines

artículo científico publicado en 2016

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

artículo científico publicado en 2017

Lessons learned from implementing a national infrastructure in Sweden for storage and analysis of next-generation sequencing data

artículo científico publicado en 2013

Ligand-based target prediction with signature fingerprints

artículo científico publicado en 2014

Linking the Resource Description Framework to cheminformatics and proteochemometrics ⬇️

artículo científico publicado en 2011

MaRe: Processing Big Data with application containers on Apache Spark

scientific article published on 01 May 2020

Mass spectrometry based metabolomics for in vitro systems pharmacology: pitfalls, challenges, and computational solutions

artículo científico publicado en 2017

Metabolomics - the stethoscope for the 21st century

artículo científico publicado en 2020

Model building in Bioclipse Decision Support applied to open datasets

NGS data management and analysis for hundreds of projects: Experiences from Sweden

scholarly article by Ola Spjuth published 30 December 2014 in EMBnet.Journal

Novel applications of Machine Learning in cheminformatics

scholarly article by Ola Spjuth published 6 September 2018 in Journal of Cheminformatics

On mechanisms of reactive metabolite formation from drugs.

artículo científico

On-demand virtual research environments using microservices

artículo científico publicado en 2019

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

artículo científico publicado en 2011

Open source drug discovery with Bioclipse ⬇️

artículo científico publicado en 2012

OpenRiskNet, an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment

Origin of aromatase inhibitory activity via proteochemometric modeling

artículo científico publicado en 2016

Origin of aromatase inhibitory activity via proteochemometric modeling

article

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

scholarly article by Kristian Peters et al published 7 December 2018 in GigaScience

Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction

Predicting protein network topology clusters from chemical structure using deep learning

artículo científico publicado en 2022

Predicting target profiles with confidence as a service using docking scores

artículo científico publicado en 2020

Predicting with confidence: Using conformal prediction in drug discovery

artículo científico publicado en 2020

Privacy-Preservation for Publishing Sample Availability Data with Personal Identifiers

Proteochemometric modeling of HIV protease susceptibility

artículo científico publicado en 2008

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

artículo científico publicado en 2010

RDFIO: extending Semantic MediaWiki for interoperable biomedical data management

artículo científico publicado en 2017

Recommendations on e-infrastructures for next-generation sequencing

artículo científico publicado en 2016

SNIC Science Cloud (SSC): A National-Scale Cloud Infrastructure for Swedish Academia

Scaling predictive modeling in drug development with cloud computing

artículo científico publicado en 2015

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

article

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

Services for prediction of drug susceptibility for HIV proteases and reverse transcriptases at the HIV drug research centre.

artículo científico publicado en 2011

The C1C2: a framework for simultaneous model selection and assessment ⬇️

artículo científico publicado en 2008

The ChEMBL database as linked open data

artículo científico publicado en 2013

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

artículo científico publicado en 2017

The LCB Data Warehouse

artículo científico publicado en 2006

The future of metabolomics in ELIXIR

artículo científico publicado en 2017

The future of metabolomics in ELIXIR.

artículo científico publicado en 2017

Toward the Replacement of Animal Experiments through the Bioinformatics-driven Analysis of 'Omics' Data from Human Cell Cultures

artículo científico publicado en 2015

Towards Predicting the Cytochrome P450 Modulation: From QSAR to proteochemometric modeling

article

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

artículo científico publicado en 2016

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

artículo científico publicado en 2010

Towards reproducible computational drug discovery

Toxicology ontology perspectives

artículo científico publicado en 2012

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

artículo científico publicado en 2018

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

scientific article published on 14 January 2019

Transfer learning with deep convolutional neural networks for classifying cellular morphological changes

scholarly article published 14 June 2018

UPPNEX - A solution for Next Generation Sequencing data management and analysis

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

artículo científico publicado en 2010

Using Iterative MapReduce for Parallel Virtual Screening

article

Using Predicted Bioactivity Profiles to Improve Predictive Modelling

artículo científico publicado en 2020

WhichCyp: prediction of cytochromes P450 inhibition

artículo científico publicado en 2013

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

artículo científico publicado en 2009

XMetDB: an open access database for xenobiotic metabolism

artículo científico publicado en 2016

scConnect: a method for exploratory analysis of cell–cell communication based on single-cell RNA-sequencing data

artículo científico publicado en 2021

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