Patents by Inventor Paul R. Labute

Paul R. Labute has filed for patents to protect the following inventions. This listing includes patent applications that are pending as well as patents that have already been granted by the United States Patent and Trademark Office (USPTO).

  • Method for determining discrete quantitative structure activity relationships
    Publication number: 20040107054
    Abstract: Method for developing a quantitative structure activity relationship that includes obtaining a training set of chemical compounds with molecular descriptors consisting of a number of multidimensional vectors with an activity class for each of the vectors; partitioning the multidimensional vectors into groups having interdependence; transforming the descriptors such that the interdependence of the groups is lessened; estimating a probability distribution of the descriptors by assuming that a probability distribution of a product of each of the groups is approximately equal to the probability distribution of the molecular descriptors; performing the partitioning, transforming and estimating steps for each of the activity classes; and, developing a probability distribution for the activity classes.
    Type: Application
    Filed: November 3, 2003
    Publication date: June 3, 2004
    Inventor: Paul R. Labute
  • Method for determining discrete quantitative structure activity relationships
    Patent number: 6691045
    Abstract: Method for developing a quantitative structure activity relationship that includes obtaining a training set of chemical compounds with molecular descriptors consisting of a number of multidimensional vectors with an activity class for each of the vectors; partitioning the multidimensional vectors into groups having interdependence; transforming the descriptors such that the interdependence of the groups is lessened; estimating a probability distribution of the descriptors by assuming that a probability distribution of a product of each of the groups is approximately equal to the probability distribution of the molecular descriptors; performing the partitioning, transforming and estimating steps for each of the activity classes; and, developing a probability distribution for the activity classes.
    Type: Grant
    Filed: February 19, 1999
    Date of Patent: February 10, 2004
    Assignee: Chemical Computing Group Inc.
    Inventor: Paul R. Labute