MolScreen is a product from MolSoft www.molsoft.com - for more information email info@molsoft.com
MolScreen - Combining Deep Learning with Docking. Millions of preclinical activity data points incorporated into AI models for drug candidates in silico.
MolScreen is a set of high-quality 3D pharmacophore, protein structure docking, ligand-based AI models as well as their combinations for a broad range of pharmacology and toxicology targets.
~3000 self contained prediction models for ~1300 targets and ~50 pre-clinical characteristics
Embedded inside MolSoft’s ICM-Pro desktop modeling software, run on cluster or KNIME.
2:00 Introduction to MolScreen
10:40 Model Types
20:22 Neural Network Models
21:40 Polypharmacology GPCR Example
34:00 CDK Kinase example using Neural Nets
43:45 Drug discover example (Bromodomain)
