Add to ORKGAbstract. The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M2 and mwc (3) , the molecular walk count of length 3, were found and proven to be affine dependent: mwc (3) = 2M2. 1
Recently, a novel class of degree-based topological molecular descriptors was proposed, the so-calle...
A new scheme for the code of chemical environments of compounds is described in this paper, and thre...
Consider similarity within a set of objects. Using the concept of chain of homology theory, the set ...
In this study the idea of the topological similarity index has been generalized so that its applicab...
This paper describes experiments to study on how well the whole range of topological indices-based n...
A molecular similarity measure has been developed using molecular topological graphs and atomic part...
Molecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as ...
Topological index (numeric number) is a mathematical coding of the molecular graphs that predicts th...
Molecular descriptors have been explored extensively. From these studies, it is known that a large n...
This paper describes experiments to study on how well the whole range of topological indices-based n...
Molecular descriptors have been explored extensively. From these studies, it is known that a large n...
A comparative study of 36 molecular descriptors derived from the topologicaldistance matrix and van ...
A survey of a number of molecular descriptors based on distance matrices and distance eigenvalues is...
Molecular similarity is an impressively broad topic with many implications in several areas of chemi...
The original formulation of the Zagreb indices is presented and their relationship to topological in...
Recently, a novel class of degree-based topological molecular descriptors was proposed, the so-calle...
A new scheme for the code of chemical environments of compounds is described in this paper, and thre...
Consider similarity within a set of objects. Using the concept of chain of homology theory, the set ...
In this study the idea of the topological similarity index has been generalized so that its applicab...
This paper describes experiments to study on how well the whole range of topological indices-based n...
A molecular similarity measure has been developed using molecular topological graphs and atomic part...
Molecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as ...
Topological index (numeric number) is a mathematical coding of the molecular graphs that predicts th...
Molecular descriptors have been explored extensively. From these studies, it is known that a large n...
This paper describes experiments to study on how well the whole range of topological indices-based n...
Molecular descriptors have been explored extensively. From these studies, it is known that a large n...
A comparative study of 36 molecular descriptors derived from the topologicaldistance matrix and van ...
A survey of a number of molecular descriptors based on distance matrices and distance eigenvalues is...
Molecular similarity is an impressively broad topic with many implications in several areas of chemi...
The original formulation of the Zagreb indices is presented and their relationship to topological in...
Recently, a novel class of degree-based topological molecular descriptors was proposed, the so-calle...
A new scheme for the code of chemical environments of compounds is described in this paper, and thre...
Consider similarity within a set of objects. Using the concept of chain of homology theory, the set ...