Tag: Knodle

• Machine learning to intuitively predict chemical properties of molecules

  Scientists from MIPT’s Research Center for Molecular Mechanisms of Aging and Age-Related Diseases together with Inria research center, Grenoble, France have developed a software package called Knodle to determine an atom’s hybridization, bond orders and functional groups’ annotation in molecules. The program streamlines one of the stages of developing new drugs. A paper on the…

  Sreeram Penna

  October 19, 2016