Open Access Article: Novel method to construct quantitative pharmacophore models

QSAR methods are widely applied in the drug discovery process, both in the hit‐to‐lead and lead optimization phase, as well as in the drug-approval process. Most QSAR algorithms are limited to using molecules as input and disregard pharmacophores or pharmacophoric features entirely.

NeuroDeRisk in silico Toolbox Released Today

The NeuroDeRisk Consortium proudly announces the launch of the NeuroDeRisk in silico Toolbox ! This computational toolbox consists of tools for screening chemical structures and drug candidates against a panel of neurotoxicophore …

18-months status of the project online meeting

It is as if the First Birthday of NeuroDeRisk was celebrated just yesterday and yet it was time for our 18-months meeting, which of course took place online. As always, it was a great pleasure to look into so many happy faces, even if the current situation around the COVID-19 pandemic unfortunately also delays …