A TOPS-MODE approach to predict permeability coefficients
- 31 March 2004
- Vol. 45 (6) , 2073-2079
- https://doi.org/10.1016/j.polymer.2003.12.014
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skinSAR and QSAR in Environmental Research, 2003
- What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE DescriptorsJournal of Chemical Information and Computer Sciences, 2002
- Novel local (fragment-based) topological molecular descriptors for QSPR/QSAR and molecular designJournal of Molecular Graphics and Modelling, 2001
- Quantitative Structure–Toxicity Relationships Using Tops-Mode. 1. Nitrobenzene Toxicity toTetrahymena PyriformisSAR and QSAR in Environmental Research, 2001
- On the Topological Sub-Structural Molecular Design (TOSS-MODE) in QSPR/QSAR and Drug Design ResearchSAR and QSAR in Environmental Research, 2000
- Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing CyclesJournal of Chemical Information and Computer Sciences, 1998
- Modelling the diamagnetic susceptibility of organic compounds by a sub-structural graph-theoretical approachJournal of the Chemical Society, Faraday Transactions, 1998
- Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs. 2. Molecules Containing Heteroatoms and QSAR ApplicationsJournal of Chemical Information and Computer Sciences, 1997
- Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 1. Definition and Applications to the Prediction of Physical Properties of AlkanesJournal of Chemical Information and Computer Sciences, 1996
- Edge Adjacency Relationships and a Novel Topological Index Related to Molecular VolumeJournal of Chemical Information and Computer Sciences, 1995