Now That We Have It, What Do We Do with It?

Chemometrics; what do we mean with it, and what do we want from it?

What we mean with chemometrics is closely connected to what we want from it, our idealized view of chemistry, data, statistics, models, and what not. Personally, I have a fairly clear opinion of what I mean with, and what I want chemometrics to be. Of course, this view is based on my experience in academic and industrial chemistry, and I shall here try to explain these views, and the chemical a...

If we have it, do we use it?

Visceral leishmaniasis treatment: What do we have, what do we need and how to deliver it?

Leishmaniasis is one of the most neglected tropical disease in terms of drug discovery and development. Most antileishmanial drugs are highly toxic, present resistance issues or require hospitalization, being therefore not adequate to the field. Recently improvements have been achieved by combination therapy, reducing the time and cost of treatment. Nonetheless, new drugs are still urgently nee...

The Asian Nuclear Medicine Board; Why Do We Need It?

No abstract available

What do we know and when do we know it?

Two essential aspects of virtual screening are considered: experimental design and performance metrics. In the design of any retrospective virtual screen, choices have to be made as to the purpose of the exercise. Is the goal to compare methods? Is the interest in a particular type of target or all targets? Are we simulating a 'real-world' setting, or teasing out distinguishing features of a me...