Literature DB >> 2312623

Vertex indices of molecular graphs in structure-activity relationships: a study of the convulsant-anticonvulsant activity of barbiturates and the carcinogenicity of unsubstituted polycyclic aromatic hydrocarbons.

G Klopman1, C Raychaudhury.   

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Year:  1990        PMID： 2312623     DOI： 10.1021/ci00065a004

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


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  3 in total

1.  Can topological indices transmit information on properties but not on structures?

Authors:  Alexandru T Balaban
Journal:  J Comput Aided Mol Des       Date:  2005-11-23       Impact factor: 3.686

2.  Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances.

Authors:  C A Pepperrell; P Willett
Journal:  J Comput Aided Mol Des       Date:  1991-10       Impact factor: 3.686

3.  Two new atom centered fragment descriptors and scoring function enhance classification of antibacterial activity.

Authors:  Durga Datta Kandel; Chandan Raychaudhury; Debnath Pal
Journal:  J Mol Model       Date:  2014-03-25       Impact factor: 1.810
  3 in total

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