Increasing hit diversity with PharmScreen:
A novel Virtual Screening approach

– Antimicrobial discovery example –

Summary

The identification of the correct molecular library is crucial in a hit identification campaign. And the selection of the appropriate tool to explore the chemical diversity contained in this library is essential. And here it is where PharmScreen can help you.

Join Enric Herrero, CTO at Pharmacelera, and learn how  PharmScreen, our proprietary virtual screening tool, can be used to mine the unexploited chemical space of your molecular libraries. Enric will show the technology capabilities with an antimicrobial discovery example.

When

Tuesday, July 21 at 11:00AM (CEST)

About PharmScreen

PharmScreen ® is a field-based virtual screening software package designed to find candidate molecules with larger chemical diversity from proprietary, public or commercial compound libraries.

Our tool uses a unique and superior 3D representation of molecules based on electrostatic, steric and hydrophobic interaction fields derived from semi-empirical Quantum-Mechanics (QM) calculations. Such fields describe with high accuracy the factors that determine ligand / receptor interactions. These chemo-type agnostic descriptors allow PharmScreen identifying candidate molecules with similar physico-chemical properties to reference compound/s, and different and diverse molecular scaffolds.

PharmScreen is peer-reviewed and validated. See our publications for more information.