Topological method for the design of new ligands.
A purely geometrical investigation of ligand patterns systematically derived and documented by use of graph theory is described, as a means for designing future ligands. Various kinds of graphs represent the ligand patterns. The simple ligand graphs are most practical and useful for ligand design, and all of them are systematically derived from simpler patterns, although there remains difficulty for expressing certain ligands. Whereas the complex ligand graphs can exactly express the structures of all the ligands, they are so complicated that their derivation is much more difficult than that of the other types of graph. Several methods of deriving such ligand graphs are developed, and the merits and demerits of these representations are discussed.
Takamoto
S
S
Department of Chemistry, Faculty of Science, Gakushuin University, Mejiro, Tokyo 171, Japan.