Similarity and Host-guest Interactions

Department of Chemistry and Department of Mathematics and Statistics University of Saskatchewan, 

A more advanced AFDF approach, the ADMA method (Adjustable Density Matrix Assembler method) [39-41] is based on a density matrix database and the actual construction of a macromolecular density matrix. This technique, also reviewed in part in ref.[31], is suitable for the rapid computation of various additional molecular properties besides electron densities. 

---

Mezey PG. Molecular similarity and host-guest interactions. Theor Comput Chem 1999 6 593-612. 

---