A new approach to structure-activity using distance information content of graph vertices : A study with phenylalkylamines

Author:

Klopman G.,Raychaudhury C.,Henderson R.V.

Publisher

Elsevier BV

Subject

Computer Science Applications,Modeling and Simulation

Reference24 articles.

1. Comparative study of lipophilicity versus topological molecular descriptors in biological correlations;Basak;J. Pharm. Sci.,1984

2. Determining structural similarity of chemicals using graph-theoretic indices;Basak;Discrete Applied Mathematics,1986

3. Information Theoretic Indices for Characterization of Chemical Structures;Bonchev,1983

4. Pattern recognition and structure-activity relationship studies. Computer-assisted prediction of antitumar activity in structurally diverse drugs in an experimental mouse brain tumor system;Chu;J. Med. Chem.,1975

5. Graph Theory with Applications to Engineering and Computer Science;Deo,1974

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