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Computer Science

D-Index
37
Citations
4880
World Ranking
10898
National Ranking
82

Overview

Ola Spjuth is affiliated with Uppsala University in Sweden, where their research spans several intersecting domains within biochemistry, genetics, molecular biology, and computer science.

Their publication record highlights contributions in the areas of molecular biology and biophysics, with a significant focus on computational approaches to drug discovery and biomedical image analysis. Key subfields associated with their work include molecular biology, biophysics, computational theory and mathematics, pharmacology, and media technology.

Spjuth's research topics cover a wide range of scientific inquiries, including:

  • Cell Image Analysis Techniques
  • Computational Drug Discovery Methods
  • Image Processing Techniques and Applications
  • Pharmacogenetics and Drug Metabolism
  • Single-cell and spatial transcriptomics
  • Analytical Chemistry and Chromatography
  • Scientific Computing and Data Management

Their recent papers demonstrate active involvement in advancing computational methods and applied biomedical research. Some notable publications are:

  • Towards reproducible computational drug discovery, 2020, Journal of Cheminformatics
  • Predicting With Confidence: Using Conformal Prediction in Drug Discovery, 2020, Journal of Pharmaceutical Sciences
  • Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection, 2022, Communications Biology
  • Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction, 2022, Nature Communications
  • Metabolomics: The Stethoscope for the Twenty-First Century, 2020, Medical Principles and Practice

Spjuth frequently publishes in a variety of scientific venues. Their most common publication outlets include:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Cheminformatics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Nature Communications
  • Journal of Chemical Information and Modeling

In collaboration, Spjuth has coauthored works with several researchers, some with multiple joint publications. Frequent collaborators include:

  • Jordi Carreras-Puigvert
  • Srijit Seal
  • Andreas Bender
  • Jonathan Alvarsson
  • Urban Fagerholm

Best Publications

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

    Egon L. Willighagen;John W. Mayfield;Jonathan Alvarsson;Arvid Berg

  • Deep Learning in Image Cytometry: A Review

    Anindya Gupta;Philip J. Harrison;Håkan Wieslander;Nicolas Pielawski

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

    Alexander Kensert;Philip J. Harrison;Ola Spjuth

  • Towards reproducible computational drug discovery

    Nalini Schaduangrat;Samuel Lampa;Saw Simeon;Matthew Paul Gleeson

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

    Ola Spjuth;Tobias Helmus;Egon L Willighagen;Stefan Kuhn

  • PhenoMeNal: processing and analysis of metabolomics data in the cloud

    Kristian Peters;James Bradbury;Sven Bergmann;Sven Bergmann;Marco Capuccini

  • The ChEMBL database as linked open data

    Egon L Willighagen;Andra Waagmeester;Ola Spjuth;Peter Ansell

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

    Noel M. O'Boyle;Rajarshi Guha;Egon L. Willighagen;Samuel E. Adams

  • Predicting With Confidence: Using Conformal Prediction in Drug Discovery.

    Jonathan Alvarsson;Staffan Arvidsson McShane;Ulf Norinder;Ola Spjuth

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

    Lars Carlsson;Ola Spjuth;Samuel E. Adams;Robert C. Glen

  • Proteochemometric modeling of HIV protease susceptibility

    Maris Lapins;Martin Eklund;Ola Spjuth;Peteris Prusis

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

    Samuel Lampa;Martin Dahlö;Martin Dahlö;Pall I Olason;Jonas Hagberg

  • Experiences with workflows for automating data-intensive bioinformatics.

    Ola Spjuth;Erik Bongcam-Rudloff;Guillermo Carrasco Hernández;Lukas Forer

  • WhichCyp: prediction of cytochromes P450 inhibition

    Michal Rostkowski;Ola Spjuth;Patrik Rydberg

  • Bioclipse 2: A scriptable integration platform for the life sciences

    Ola Spjuth;Jonathan Alvarsson;Arvid Berg;Martin Eklund

  • Metabolomics: The Stethoscope for the Twenty-First Century.

    Hutan Ashrafian;Viknesh Sounderajah;Robert Glen;Timothy Ebbels

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

    Johannes Wagener;Ola Spjuth;Egon L. Willighagen;Jarl E. S. Wikberg

  • Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty.

    Fredrik Svensson;Natalia Aniceto;Ulf Norinder;Ulf Norinder;Isidro Cortes-Ciriano

  • The LCB Data Warehouse

    Adam Ameur;Vladimir Yankovski;Stefan Enroth;Ola Spjuth

  • The machine learning life cycle and the cloud: implications for drug discovery.

    Ola Spjuth;Jens Frid;Andreas Hellander

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

    Maris Lapins;Staffan Arvidsson;Samuel Lampa;Arvid Berg

  • Container-based bioinformatics with Pachyderm.

    Jon Ander Novella;Payam Emami Khoonsari;Stephanie Herman;Stephanie Herman;Daniel Whitenack

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

    Alexander Kensert;Jonathan Alvarsson;Ulf Norinder;Ulf Norinder;Ola Spjuth

Frequent Co-Authors

Egon Willighagen
Egon Willighagen Maastricht University
Jarl E. S. Wikberg
Jarl E. S. Wikberg Uppsala University
Christoph Steinbeck
Christoph Steinbeck Friedrich Schiller University Jena
Marta Cascante
Marta Cascante University of Barcelona
Reza M. Salek
Reza M. Salek International Agency For Research On Cancer
Roland C. Grafström
Roland C. Grafström Karolinska Institute
Steffen Neumann
Steffen Neumann Leibniz Institute of Plant Biochemistry
Susanna-Assunta Sansone
Susanna-Assunta Sansone University of Oxford
Sven Bergmann
Sven Bergmann Swiss Institute of Bioinformatics
Haralambos Sarimveis
Haralambos Sarimveis National Technical University of Athens

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