Topological Descriptors of Histology Images

Application of topological and physicochemical descriptors: QSTR analysis of the toxicity of benzene derivatives

Novel Atom-Type-Based Topological Descriptors for Simultaneous Prediction of Gas Chromatographic Retention Indices of Saturated Alcohols on Different Stationary Phases

In this work, novel atom-type-based topological indices, named AT indices, were presented as descriptors to encode structural information of a molecule at the atomic level. The descriptors were successfully used for simultaneous quantitative structure-retention relationship (QSRR) modeling of saturated alcohols on different stationary phases (SE-30, OV-3, OV-7, OV-11, OV-17 and OV-25). At first...

QSPR study on benzene derivatives to some physico-chemical properties by using topological indices

QSPR study on benzene derivatives have been made using recently introduced topological methodology. In this study the relationship between the Randic' (x'), Balaban (J), Szeged (Sz),Harary (H), Wiener (W), HyperWiener and Wiener Polarity (WP) to the thermal energy (Eth), heat capacity (CV) and entropy (S) of benzene derivatives is represented. Physicochemical properties are taken from the quant...

Topological Relationship Between Wiener Index in contrast to the Energy and Electric Moments in TUVC6I2p, ill with Same Circumference and Various Lengths

Topological indices are one of the oldest and most widely used descriptors in Quantitative StructureProperties Relationvhips (QSPR). Amongst the topological indices used a,s descriptors in QSPIC., the Wienerindex is by far the most popular index. as it has been shown that the Wiener index has a strong correlationwith the chemical propenies of the compound.In this study, the relationship between...

Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices

Abstract: In this study an appropriate computational approach was presented for estimating the boiling temperatures of 41 different types of olefins and their derivatives. Based on the guidelines of this approach, several structural indices related to the organic components were applied using graph theory. Meanwhile, in addition to evaluating the relation between the boiling temperatures of ole...