We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various examples, such as chemistry toolkits, machine-learning applications and web frameworks and show how Python can glue it all together to create efficient data science pipelines.
@article{arxiv.1607.00378,
title = {Want Drugs? Use Python},
author = {Michał Nowotka and George Papadatos and Mark Davies and Nathan Dedman and Anne Hersey},
journal= {arXiv preprint arXiv:1607.00378},
year = {2016}
}