During the early stages of drug discovery, the primary emphasis often revolves around exploring the chemical space around a compound of interest In this phase, structure-guided screening for decorations and modifications can greatly streamline the decision-making process by proposing results with improved properties that form high quality interactions with the binding site.
In this spotlight we highlight the Medchemesis and FastGrow tools (both part of SeeSAR’s Inspirator Mode) as valuable resources for ideation of improved drug candidates in regards to predicted potency, ligand-lipophilicity efficiency (LLE), and important ADME properties such as logP and logS.
Read the whole spotlight following this link.