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Autor:
P J, Artymiuk, P A, Bath, H M, Grindley, C A, Pepperrell, A R, Poirrette, D W, Rice, D A, Thorner, D J, Wild, P, Willett, F H, Allen
Publikováno v:
Journal of chemical information and computer sciences. 32(6)
This paper discusses algorithmic techniques for measuring the degree of similarity between pairs of three-dimensional (3-D) chemical molecules represented by interatomic distance matrices. A comparison of four methods for the calculation of 3-D struc