
New JCIM paper about ultralarge chemical space exploration
In our latest paper published in the Journal of Chemical Information and Modeling (JCIM) by the American Chemical Society, we introduce two

In our latest paper published in the Journal of Chemical Information and Modeling (JCIM) by the American Chemical Society, we introduce two

We’re excited to announce the release of Pharmacelera’s 2025.01 software update! What’s New in 2025.01? 🔹 Custom Ultra-Large Library Generation

By Nicola Scafuri and Ana Caballero A larger number of ligands in the virtual screening library increases the chances of identifying ligands

By Carlos Cruz and Ana Caballero The success of a ligand-based virtual screening campaign relies on their molecular descriptors, in this sense,
The application of ligand-based virtual screening (LBVS) is commonly extended in the screening of vast chemical libraries to find novel chemical matter
The technology behind a software is important, but so is how to access it. The user interface (UI) allows users to effectively

For some computational and medicinal chemists, a good graphical user interface (GUI) is essential. It makes it easier to analyze, understand and

We are pleased to announce a new update of our Pharmacelera KNIME nodes. Access to our tools is enhanced with the update