Patents Assigned to Axontologic, Inc.
  • Patent number: 7219020
    Abstract: A novel extension of the vector space model for computing chemical similarity is described. In one embodiment, a method calculates similarity between molecules and molecular descriptors using the singular value composition (SVD) of a molecule/descriptor matrix and, for example, an identity matrix, to create a low dimensional representation of the original descriptor space. Probe or query molecules then can be projected into the low dimensional representation and compared to the molecules from the original matrix.
    Type: Grant
    Filed: April 10, 2000
    Date of Patent: May 15, 2007
    Assignee: Axontologic, Inc.
    Inventors: Richard D. Hull, Eugene M. Fluder, Jr., Suresh B. Singh, Robert P. Sheridan, Robert B. Nachbar, Simon K. Kearsley