Connectivity Enhanced Structure Activity Relationship (ceSAR): A Novel Approach to Increase Accuracy and Speed of Virtual Drug Discovery

Experimental drug discovery and repurposing is a costly and time‐consuming process. Here, a novel approach, dubbed connectivity enhanced structure activity relationship (ceSAR) is introduced. ceSAR combines traditional virtual screening methodologies with cheminformatics and Library of Integrated Network‐Based Cellular Signatures (LINCS) gene expression signatures of genetic and chemical perturbations. This methodology combines structural...