A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The computational method estimates the electrostatic affinity of the system (532) via utilization of a basis expansion (529) representing charge density and electrostatic potential functions associated...

The present invention relates to a circuit for partitioning a representation of a molecular subset, the circuit comprising a read data engine that receives a molecular representation of the molecular subset, the molecular subset including a plurality of atoms and bonds; one or more storage modules for storing: a set...