US Patent 8, 374,837. Descriptors of three-dimensional objects, uses thereof and a method to generate the same. Inventors: Hans Louis Jos De Winter, Roger Gert Wilfried Langenaeker. Assignee: Silicos
Describes a computerized method of generating descriptors of three-dimensional objects for use in drug discovery. The descriptors can be used to study structure activity relationships, for virtual screening of molecular databases, and for synthesizing virtual molecules with predefined properties.