Rapid, Incisive Data Analysis For Lead Discovery

In a previous post we commiserated with drug discovery scientists and their IT colleagues in their daily struggles to deal with the ever-increasing research data deluge. We then attempted to ease their pain by exploring modern informatics tools and applications that guide them to rapidly and intelligently identify, locate, search, extract and organize tractable sets of relevant data (internal or external, structured or unstructured, small molecule or biologic) for detailed analysis and visualization. 

This current post moves to the improvements that are needed in the next stage in the drug discovery/lead identification/lead optimization workflow, where scientists will want to analyze data sets to derive insights and to answer pressing scientific questions and make research decisions such as: 

• Identifying the most promising chemical scaffold and substituent set with oncologic activity
• Exploring this set further to improve candidate compounds’ DMPK and toxicity profiles