There is an interesting paper in Journal of Cheminformatics J Cheminform 17, 142 (2025). https://doi.org/10.1186/s13321-025-01094-1
Cheminformatics Microservice V3 aims to provide easily accessible and reproducible cheminformatics tools. This latest version introduces a unified, web-based interface that significantly enhances user accessibility to open-source cheminformatics toolkits. By making the web application and API endpoints freely available, along with fully open and well-documented source code, we aim to eliminate barriers to use, encourage community-driven development, and foster an environment of collaboration and innovation.
It provides a unified platform that consolidates access to widely-used toolkits including RDKit, Chemistry Development Kit (CDK), and Open Babel. The platform exposes core functionality via a standardised RESTful API, enabling researchers to access essential cheminformatics operations through a consistent interface. It also means that bench chemists can access these tools without needing to be comfortable with a command line interface.
– API: https://api.naturalproducts.net
– Web Interface: https://app.naturalproducts.net
– GitHub: https://github.com/Steinbeck-Lab/cheminformatics-microservice