Learning Representations – Digits, Cats and Now Molecules

Deep learning has been getting some press in the last few months, especially with the Google paper on recognizing cats (amongst other things) from Youtube videos. The concepts underlying this machine learning approach have been around for many years, though recent work by Hinton and others have led to fast implementations of the algorithms as […]

CINF Webinar: Practical cheminformatics workflows with mobile apps

I’m pleased to announce that the ACS Division of Chemical Information will be hosting a series of free webinars on topics related to chemical information. The webinars will be open to everybody and our first speaker in this series will be Dr. Alex Clark, who’ll be talking about cheminformatics workflows and mobile applications. More details […]

High Content Screens and Multivariate Z’

While contributing to a book chapter on high content screening I came across the problem of characterizing screen quality. In a traditional assay development scenario the Z factor (or Z’) is used as one of the measures of assay performance (using the positive and negative control samples). The definition of Z’ is based on a […]

Cheminformatics and Clam Chowder

The time has come to move again – though, in this case, it’s just a geographic move. From August I’ll be living in Manchester, CT (great cheeseburgers and lovely cycle routes) and will continue to work remotely for NCGC. I’ll be travelling to DC every month or so. The rest of the time I’ll be […]