# Some background on me I'm James and I work in [[cheminformatics ]]and [[computational drug discovery]]. I have put this site together mostly as a record for myself, what I have been doing, a way to track ideas and things I have learnt over time. Think of it as a personal wiki of sorts. This can be everything from molecular line-notations to protein de novo design and beyond. You'll find pages in a variety of different levels of completeness as I am usually working on different projects throughout the year. I also constantly tweak and change old pages as I come up with new ideas or links to newer content. I usually update some part of the site daily often. If you want to find what I am working on right now feel to [[What Am I Working On ?|check it out]]. ## Why do I work in Computational Drug Discovery ? I am really interested in finding medicines which can have a positive impact on patients with diseases. Computational Drug Discovery is really all about how to use computer to expedite the [[drug discovery process]] and lower [[attrition rates]]. In particular I am interested in creating novel tools and techniques which can have an impact in rare, neglected, and tropical diseases. From a practical perspective, this means developing computational tools to tackle various tasks that, if not properly managed, can slow down research or increase the incidence of false positives within pre-clinical research. ## Why did you choose 1060.fyi ? 10$^{60}$ is the often quoted value for the total number of dug like molecules that are possible in the chemical space. FYI is an acronym for "For Your Information". ## Latest edited pages - [[Some notes on Data Lakes]] - [[Reservoir Computing for Cheminformatics Applications]] - [[What Am I Working On ?]] - [[Exploration of Chemical Space Networks]] - [[Simulated Annealing - Building a Test Harness]] - [[Simulated Annealing - Early Stopping and Tuning]] - [[Reaction Informatics - Reaction Datasets]] - [[Simulated Annealing - Optimising Bit Vectors]] - [[Reaction Informatics - Reaction Classes v. Reaction Examples]] - [[An Analysis of a Never-Ending Reading List - Data Wrangling]]