Institution: NIH Chemical Genomics Center


Cloudy with a touch of Cheminformatics

Sep 26, 2012 - Presentation
Remote hosting (a.k.a. cloud computing) has become a popular topic in recent years with many vendors providing such cloud based services. The cloud enables the use of massive, on demand …

Smashing Molecules ‐ How Molecular Fragments Allow us to Explore Large Chemical Spaces

Sep 28, 2011 - Presentation
Molecular fragments are ubiquitous in both experimental and computational chemistry. In many ways, fragments can be considered to be the n-grams of chemistry, allowing us to capture and e…

Toward the Development of an Open Source Cheminformatics Platform for HTS Data Analysis and Visualization

Aug 8, 2008 - Presentation
The identification of promising chemical series from high through-put screening (HTS) data is an integral part of a therapeutic project, one which ultimately can determine whether the pro…