Natural products (NPs) have been the centre of attention of the scientific community in the
last decencies and the interest around them continues to grow incessantly. As a …

Great progress has been made in recent years to reduce the high level of suffering caused
by malaria worldwide. Notably, the use of insecticide-treated mosquito nets for malaria …

In de novo drug design, computational strategies are used to generate novel molecules with
good affinity to the desired biological target. In this work, we show that recurrent neural …

Large amounts of data are generated in chemistry labs—nearly all instruments record data
in a digital form, yet a considerable proportion is also captured non-digitally and reported in …

Achieving a malaria-free world presents exciting scientific challenges as well as
overwhelming health, equity, and economic benefits. WHO and countries are setting …

The use of substructural alerts to identify P an-A ssay IN terference compound S (PAINS)
has become a common component of the triage process in biological screening campaigns …

As research becomes predominantly digitalized, scientists have the option of using
electronic laboratory notebooks to record and access entries. These systems can more …

The replacement of one chemical motif with another that is broadly similar is a common
method in medicinal chemistry to modulate the physical and biological properties of a …

Twenty years after the publication of the first draft of the human genome, our knowledge of
the human proteome is still fragmented. The challenge of translating the wealth of new …

Infectious diseases claim millions of lives every year, but with the advent of drug resistance,
therapeutic options to treat infections are inadequate. There is now an urgent need to …