Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal ch...Read More
Update Nov 27, 2012: The entire source code for this tool is available here. Kinases are an important class of enzymes that are therapeutically relevant for a wide range of indications such as cancer ...Read More
A challenging task in early stage lead discovery is the triaging of chemical series from high throughput screening (HTS) assays. Here triaging is a multiplex problem that seeks to find the balance b...Read More