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Educational Articles

Journal of Cheminformatics publishes Educational articles that describe an aspect of cheminformatics. This aspect may be about cheminformatics theory and methods, but also like a tutorial explaining in detail how to perform some cheminformatics.

This page is a collection of articles that fit under the Educational category in Journal of Cheminformatics

Art driven by visual representations of chemical space
Daniela Gaytán-Hernández, Ana L. Chávez-Hernández, Edgar López-López, Jazmín Miranda-Salas, Fernanda I. Saldívar-González & José L. Medina-Franco
21 October 2023

Using Jupyter Notebooks for re-training machine learning models
Aljoša Smajić, Melanie Grandits & Gerhard F. Ecker 
13 August 2022

A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19
Alzbeta Tuerkova and Barbara Zdrazil
25 November 2020

Chemoinformatics-based enumeration of chemical libraries: a tutorial
Fernanda I. Saldívar-González, C. Sebastian Huerta-García and José L. Medina-Franco
27 October 2020

Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial
Simon A. Bray, Tharindu Senapathi, Christopher B. Barnett and Björn A. Grüning
10 September 2020

The rcdk and cluster R packages applied to drug candidate selection
Adrian Voicu, Narcis Duteanu, Mirela Voicu, Daliborca Vlad and Victor Dumitrascu
20 January 2020

Learning cheminformatics
Rajarshi Guha and Egon Willighagen
20 January 2020

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