Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrixâ€Â: Application to QSPR/QSAR Studies of Organic Compounds

Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrixâ€Â: Application to QSPR/QSAR Studies of Organic Compounds

In this paper we describe the application in QSPR/QSAR studies of a newgroup of molecular descriptors: atom, atom-type and total linear indices of the molecularpseudograph’s atom adjacency matrix. These novel molecular descriptors were used forthe prediction of boiling point and partition coeff...

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Bibliographic Details
Main Authors: Eduardo A. Castro, Vicente Romero Zaldivar, Francisco Torrens, Juan Alberto Castillo Garit, Yovani Marrero Ponce
Format: Article
Language:English
Published: MDPI AG 2004-12-01
Series:Molecules
Subjects:
TOMOCOMD-CARDD
Total and Local Linear Indices
QSPR
QSAR
alkyl-alcohol
2-furylethylene.
Online Access:http://www.mdpi.com/1420-3049/9/12/1100/

Internet

http://www.mdpi.com/1420-3049/9/12/1100/

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