Working from just a few 2D structures of known active ligands, ForgeV10 generates a series of conformations that the ligands might adopt under physiological conditions
26 June 2012
A computational suite that aids computational and medicinal chemists in understanding SAR and design has been launched by Cresset. Named ForgeV10, it provides computational chemists with control and insight into activity data that aids confidence in the planning and direction of projects. The shape and electrostatic character of molecules are used to create qualitative and quantitative 3D models of activity that are visually stimulating and easy to communicate.
Taking advantage of Cresset’s patented ligand comparison method to align, score and compare molecules from a biological view point, ForgeV10 can be used to decipher complex SAR and communicate the results, design better molecules based on trusted predictions, prepare detailed pharmacophores, virtually screen 10,000 compounds on the desktop, and generate ADME and off-target activity profiles.