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List of works by Ola Spjuth

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

scientific article
Bioclipse: an open source workbench for chemo- and bioinformatics

scientific article published on 22 February 2007
The ChEMBL database as linked open data

scientific article (publication date: 2013)
Bioclipse 2: a scriptable integration platform for the life sciences

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

scientific article published in 2011
Towards interoperable and reproducible QSAR analyses: Exchange of datasets

scientific article (publication date: 2010)
Proteochemometric modeling of HIV protease susceptibility

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

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

scientific article (publication date: 2010)
PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

scholarly article by Kristian Peters et al published 7 December 2018 in GigaScience
Integrated decision support for assessing chemical liabilities

scientific article published on 5 August 2011
Toxicology ontology perspectives

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

scientific article
Linking the Resource Description Framework to cheminformatics and proteochemometrics

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

scientific article from 2015
The LCB Data Warehouse

scientific article published on 2 February 2006
Proteochemometric modeling of the susceptibility of mutated variants of the HIV-1 virus to reverse transcriptase inhibitors

scientific article
Ligand-based target prediction with signature fingerprints

scientific article published on 3 October 2014
WhichCyp: prediction of cytochromes P450 inhibition

scientific article
Deep Learning in Image Cytometry: A Review

scholarly article by Anindya Gupta et al published 19 December 2018 in Cytometry Part A
Experiences with workflows for automating data-intensive bioinformatics

scientific article
The future of metabolomics in ELIXIR.

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

scientific article (publication date: 2016)
A unified proteochemometric model for prediction of inhibition of cytochrome p450 isoforms

scientific article (publication date: 2013)
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

scientific article published on 20 September 2017
Computational toxicology using the OpenTox application programming interface and Bioclipse

scientific article
Collaborative Computational Technologies for Biomedical Research

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

scientific article published on 3 April 2018
Benchmarking study of parameter variation when using signature fingerprints together with support vector machines

scientific article published on 28 October 2014
Open source drug discovery with Bioclipse

scientific article from 2012
Recommendations on e-infrastructures for next-generation sequencing

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

scientific article (publication date: 23 May 2014)
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles

scientific article
Efficient iterative virtual screening with Apache Spark and conformal prediction.

scientific article
Applications of the InChI in cheminformatics with the CDK and Bioclipse

scientific article published on 13 March 2013
The C1C2: a framework for simultaneous model selection and assessment

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

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

scientific article
Towards reproducible computational drug discovery

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

article
Interoperable and scalable data analysis with microservices: Applications in Metabolomics

On mechanisms of reactive metabolite formation from drugs.

scientific article published on April 2013
Accessing, Using, and Creating Chemical Property Databases for Computational Toxicology Modeling

scientific article published in 2012
Evaluating parameters for ligand-based modeling with random forest on sparse data sets

scientific article published on 11 October 2018
Integration of magnetic resonance imaging and protein and metabolite CSF measurements to enable early diagnosis of secondary progressive multiple sclerosis

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

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

scientific article published on 10 May 2018
Scaling predictive modeling in drug development with cloud computing

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

scientific article
XMetDB: an open access database for xenobiotic metabolism

scientific article

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