Patents by Inventor Alexandre Varnek

Alexandre Varnek 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).

  • Methods for similarity searching of chemical reactions
    Patent number: 7991730
    Abstract: A computer-based method for identifying at least one pair of similar chemical reactions between a plurality of reactions each related to preparation of at least one product from at least one reagent may include generating for each reaction a structural representation involving dynamic and conventional bonds and, based on the this structural representation, generating for each reaction a set of fragment descriptors of a predetermined length comprising the dynamical bonds and a corresponding descriptor vector. The method may further include calculating similarity indices between descriptor vectors of the plurality of reactions and comparing the similarity indices to identify at least one pair of similar reactions.
    Type: Grant
    Filed: July 17, 2007
    Date of Patent: August 2, 2011
    Assignees: Novalyst Discovery, Universite Louis Pasteur
    Inventors: Alain Wagner, Frank Hoonakker, Alexandre Varnek
  • METHODS FOR SIMILARITY SEARCHING OF CHEMICAL REACTIONS
    Publication number: 20090024575
    Abstract: A computer-based method for identifying at least one pair of similar chemical reactions between a plurality of reactions each related to preparation of at least one product from at least one reagent may include generating for each reaction a structural representation involving dynamic and conventional bonds and, based on the this structural representation, generating for each reaction a set of fragment descriptors of a predetermined length comprising the dynamical bonds and a corresponding descriptor vector. The method may further include calculating similarity indices between descriptor vectors of the plurality of reactions and comparing the similarity indices to identify at least one pair of similar reactions.
    Type: Application
    Filed: July 17, 2007
    Publication date: January 22, 2009
    Inventors: Alain Wagner, Frank Hoonakker, Alexandre Varnek