Axontologic, Inc.

Robert P Sheridan

Suresh B Singh

Richard D Hull

Eugene M Fluder, Jr

Robert B Nachbar

Simon K Kearsley

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.

Growing community of inventors

Bloomfield, NJ, United States of America

Robert P Sheridan