Molecular Design

I've started using Figshare and have uploaded my first two harangues. Late last month, I did a talk on ligand efficiency at Evotec U...

<< previous || next >> Drug design is a multi-objective endeavor. Some objectives such as maximization of affinity against t...

"First they ignore you, then they laugh at you ,  then they fight you , then you win " (Sometimes attributed to Mahatma Gand...

I recently published The Nature of Ligand Efficiency (NoLE) as a ChemRxiv preprint and this was featured (for all the right reasons) in ...

Thanks again for your response , Pat, and I’ll try to both clarify my previous comments and respond to the challenges that you’ve presented...

I’ll be taking a look at machine learning (ML) in this post which was prompted by AI in Drug Discovery - A Practical View From the Trench...

The third annual survey (F2L2017) of fragment-to-lead (F2L) optimizations was published last week. Given that it was the second survey ...