Three Dimensional Maximal Common

Brint, A.T. and Willett, P. (1987a). Algorithms for the Identification of Three-Dimensional Maximal Common Substructures. J.Chem.Inf.Comput.ScL, 27,152-158. 

Brint AT, Willett P. Algorithms for the identification of three-dimensional maximal common substructures. J Chem Inf Comput Sci 1987 27 152-158. 

Fig. 12. The maximal common geometric pattern founded by COMPASS. In weighting atoms, different atomic species and atomic charge were considered. The distance allowance is 0.5 A. a Three-dimensional structures of haloperidide (left) and milenperone (right), b Display of the superimposition of their whole molecules and common parts, c Display of the common parts with electronic property...

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