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

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 4, 2001, Pages 1015-1021

  Estrada, Ernesto ^a   Molina, Enrique ^a   Perdomo López, Iliana ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

MOLECULAR DESCRIPTORS;

CHARACTERIZATION; CHEMICAL BONDS; GEOMETRY; MOLECULAR STRUCTURE; OPTIMIZATION; PHOTOELECTRON SPECTROSCOPY;

MOLECULAR DYNAMICS;

EID: 0035412779     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000170v     Document Type: Article

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