Skip to main content



Improving reproducibility and reusability in the Journal of Cheminformatics
Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martinez-Mayorga & Eva Nittinger 
30 June 2023

Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics’ Scientific Contribution Statement
Barbara Zdrazil, Rajarshi Guha, Karina Martinez-Mayorga & Nina Jeliazkova 
15 January 2024

Biomedical data analyses facilitated by open cheminformatics workflows
Eva Nittinger, Alex Clark, Anna Gaulton & Barbara Zdrazil
17 April 2023 

A look back at a pilot of the citation typing ontology
Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova & Karina Martinez-Mayorga
3 February 2023 


Diversifying cheminformatics
Barbara Zdrazil and Rajarshi Guha
25 April 2022


What is the role of cheminformatics in a pandemic?
Rajarshi Guha, Egon Willighagen, Barbara Zdrazil & Nina Jeliazkova 
2 March 2021


From Big Data to Artificial Intelligence: chemoinformatics meets new challenges
Igor V. Tetko & Ola Engkvist 
18 December 2020

Adoption of the Citation Typing Ontology by the Journal of Cheminformatics
Egon Willighagen
28 July 2020

Learning cheminformatics
Rajarshi Guha & Egon Willighagen
20 January 2020


Journal of Cheminformatics, ORCID, and GitHub
Egon Willighagen, Nina Jeliazkova & Rajarshi Guha
8 July 2019

Implementing cheminformatics
Rajarshi Guha
5 February 2019


Novel applications of Machine Learning in cheminformatics
Ola Spjuth
6 September 2018


Helping to improve the practice of cheminformatics
Rajarshi Guha & Egon Willighagen


Cheminformatics for the masses: a chance to increase educational opportunities for the next generation of cheminformaticians
David J Wild
5 July 2013


InChI: connecting and navigating chemistry
Antony J Williams
13 December 2012

Semantic physical science
Peter Murray-Rust & Henry S Rzepa
3 August 2012


Semantic science and its communication - a personal view
Peter Murray-Rust
14 October 2011

Resource description framework technologies in chemistry
Egon L Willighagen & Martin P Brändle
13 May 2011


Grand challenges for cheminformatics
David J Wild