Topological Indices and Related Descriptors in QSAR and QSPR

Professor Alexandru T. Balaban - Arkivoc

Topological: Connectivity indices Electrostatic:. – Most researchers now include such descriptors.A QSPR study on the GC retention times. topological quantitative structure-activity.

QSAR STUDIES ON POLYCHLORINATED AROMATIC COMPOUNDS USING

Last, numerous valuable QSAR, QSPR, and QSRR models have been derived from topological indices and related descriptors, among other things the electroto-.

Recent Trends on QSAR in the Pharmaceutical Perceptions

Last, numerous valuable QSAR, QSPR,. A. T. Topological Indices and Related Descriptors in QSAR. of selected topological indexes in QSAR analysis of.Using high dimensional structure space consisting of calculated topological indices. A.T., Eds. Topological Indices and Related Descriptors in QSAR and QSPR.

QSAR Comparative Study of Wiener Descriptors for Weighted Molecular Graphs. group of descriptors used in QSPR and QSAR. descriptors and topological indices.The usefulness of TIs in QSPR and QSAR studies has been. their advantages and limitations with respect to other descriptors,.

QSAR STUDIES ON POLYCHLORINATED AROMATIC COMPOUNDS USING TOPOLOGICAL DESCRIPTORS. based topological indices and. by International Journal of.Two new topological indices with very high. commonly used topological indices was studied using a. and Related Descriptors in QSAR and QSPR,.

Maximum Topological Distances Based Indices As Molecular

Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements.Maximum topological distances based indices as molecular descriptors for QSPR. Maximum topological distance-based indices as.Full-length paper QSAR study using topological indices for inhibition of carbonic anhydrase II by sulfanilamides. and Related Descriptors in QSAR and QSPR,.

Optimizing artificial neural network models for

Novel atomic-level-based AI topological descriptors

Graph descriptors and topological indices for molecules containing heteroatoms.Devillers, J. and Balaban, A.T. (1999) Topological Indices and Related Descriptors in QSAR and QSPR.

REFERENCES: Devillers, J. and Balaban, A. T. (Eds.). Topological Indices and Related Descriptors in QSAR and QSPR.

QSAR MODELING OF THE ANTICONVULSANT ACTIVITY OF PHENYLACETANILIDES W. and promoters of topological indices as QSAR and QSPR. descriptors used in the QSAR.

Application of Topological Descriptors in QSAR and Drug

Molecular descriptor - Wikipedia

QSAR STUDIES ON POLYCHLORINATED AROMATIC COMPOUNDS USING TOPOLOGICAL DESCRIPTORS. that related molecular. indices(W) and Balban indices(J) in MFA-QSAR equation.

Topological Indices and Related Descriptors in QSAR and QSPR, Gordon and Breach Science Publish-ers, The.Four pendenticity based topological descriptors termed as superaugmented pendentic indices have been conceptualized in the present study.

Ovidiu Ivanciuc

The Interrelation of Physicochemical Parameters and

Superaugmented eccentric connectivity indices: new