Molecular Design

I’ve been meaning to write something on the state of Pharma ever since my good friend Anthony Nicholls posted What Is Really Killing Phar...

A couple of months ago I returned from a visit to OpenEye in Santa Fe, New Mexico. I’d been helping out with tautomers and ionisation and...

This post got prompted one by Dan at Practical Fragments and I'm going to ask you to first take a look at that and at the comments. Now...

The FBDD Literature blog is getting a bit of a makeover. One of the reasons for doing this is that since I escaped from Big Pharma my acces...

In the previous post I had an indirect dig at journal editors. In this post the dig will be a lot more direct. Recently I accepted an ‘in...

The relative merits of Fragment Based Ligand Design (FBLD) and Diversity-Oriented Synthesis (DOS) were recently debated in a Nature Forum . ...

I should start this post by saying that I’ve never actually used the Rule of Three for fragment selection. Part of the reason for this is s...