Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?

Ernesto Estrada, Enrique Molina, Iliana Perdomo-López. Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?. Journal of Chemical Information and Computer Sciences, 41(4):1015-1021, 2001. [doi]

Abstract

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