Chris Steinbeck and I are off to the eScience for Chemoinformatics and Drug Discovery Meeting on the 11th December in Bloomington Indiana. Link to conference website. This should be fun, and I will try and fix up a few meetings around this. Too bad the pound is so weak against the dollar now. However, looking for 'shrooms is free, so I will try and take a days holiday while out there to try and find something interesting.
Motivation The CheMBL Web Services provide simple reliable programmatic access to the data stored in ChEMBL database. RESTful API approaches are quite easy to master in most languages but still require writing a few lines of code. Additionally, it can be a challenging task to write a nontrivial application using REST without any examples. These factors were the motivation for us to write a small client library for accessing web services from Python. Why Python? We choose this language because Python has become extremely popular (and still growing in use) in scientific applications; there are several Open Source chemical toolkits available in this language, and so the wealth of ChEMBL resources and functionality of those toolkits can be easily combined. Moreover, Python is a very web-friendly language and we wanted to show how easy complex resource acquisition can be expressed in Python. Reinventing the wheel? There are already some libraries providing access to ChEMBL d