Second Zagreb Index has been proposed in "Graph theory and molecular orbitals. XII. Acyclic polyenes"
doi.org/10.1063/1.43...
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Second Zagreb Index has been proposed in "Graph theory and molecular orbitals. XII. Acyclic polyenes"
doi.org/10.1063/1.43...
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ISH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci01... via
@pubs.acs.org
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ISH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci01... via
@pubs.acs.org
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Total information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana
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Total information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana
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Radius of gyration has been proposed in Arteca, G. A. (2007). Molecular Shape Descriptors. In Reviews in Computational Chemistry doi.org/10.1002/9780...
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Radius of gyration has been proposed in Arteca, G. A. (2007). Molecular Shape Descriptors. In Reviews in Computational Chemistry doi.org/10.1002/9780...
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Path/walk Randic shape indices have been described in Randić, M. (2001). Novel Shape Descriptors for Molecular Graphs. via @pubs.acs.org doi.org/10.1021/ci00...
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Path/walk Randic shape indices have been described in Randić, M. (2001). Novel Shape Descriptors for Molecular Graphs. via @pubs.acs.org doi.org/10.1021/ci00...
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Number of ring systems has been used in "Property Distributions: Differences Between Drugs, Natural Products, and Molecules..." doi.org/10.1002/chin...
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Number of ring systems has been used in "Property Distributions: Differences Between Drugs, Natural Products, and Molecules..." doi.org/10.1002/chin...
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Unipolarity index has been proposed in Skorobogatov, V. A., & Dobrynin, A. . (1988). Metric analysis of graphs. MATCH match.pmf.kg.ac.rs/electronic_v...
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Unipolarity index has been proposed in Skorobogatov, V. A., & Dobrynin, A. . (1988). Metric analysis of graphs. MATCH match.pmf.kg.ac.rs/electronic_v...
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HIC – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci01... via @pubs.acs.org
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HIC – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci01... via @pubs.acs.org
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MWcorr is a modified version of molecular weight designed to better correlate with the McGowan volume when working with halogenated compounds
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MWcorr is a modified version of molecular weight designed to better correlate with the McGowan volume when working with halogenated compounds
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Mean information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana
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Mean information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana
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Harary-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of Molecular..." doi.org/10.1002/9783...
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Harary-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of Molecular..." doi.org/10.1002/9783...
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“A” Total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.... and "The Whim Theory..." doi.org/10.1080/1062...
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“A” Total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.... and "The Whim Theory..." doi.org/10.1080/1062...
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K global shape WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.... and "The Whim Theory..." doi.org/10.1080/1062...
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K global shape WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.... and "The Whim Theory..." doi.org/10.1080/1062...
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Aromatic ratio is calculated as the ratio between the number of aromatic bonds and the number of non-hydrogen bonds
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Aromatic ratio is calculated as the ratio between the number of aromatic bonds and the number of non-hydrogen bonds
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Graph vertex complexity index has been proposed in "Discrimination of isomeric structures using information theoretic topological..." doi.org/10.1002/jcc....
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Graph vertex complexity index has been proposed in "Discrimination of isomeric structures using information theoretic topological..." doi.org/10.1002/jcc....
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Gravitational index G2 has been proposed in "Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298..." doi.org/10.1021/jp95...
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Gravitational index G2 has been proposed in "Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298..." doi.org/10.1021/jp95...
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Eccentric connectivity index has been proposed in "Eccentric connectivity index: A novel highly discriminating..." via @pubs.acs.org doi.org/10.1021/ci96...
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Eccentric connectivity index has been proposed in "Eccentric connectivity index: A novel highly discriminating..." via @pubs.acs.org doi.org/10.1021/ci96...
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Narumi harmonic topological index has been proposed in "New topological indices for finite and infinite systems" MATCH match.pmf.kg.ac.rs/electronic_v...
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Narumi harmonic topological index has been proposed in "New topological indices for finite and infinite systems" MATCH match.pmf.kg.ac.rs/electronic_v...
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Radial centric information index has been proposed in Bonchev, D. (1983). Information theoretic indices for characterization of chemical structures
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Radial centric information index has been proposed in Bonchev, D. (1983). Information theoretic indices for characterization of chemical structures
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Moran autocorrelation has been proposed in Moran, P. (1950). Notes on continuous stochastic phenomena. Biometrika, 37, 17–23
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Moran autocorrelation has been proposed in Moran, P. (1950). Notes on continuous stochastic phenomena. Biometrika, 37, 17–23
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Maximal electrotopological positive variation has been described in "Modelling and prediction of soil sorption..." via
@elsevierconnect.bsky.social doi.org/10.1016/S004...
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Maximal electrotopological positive variation has been described in "Modelling and prediction of soil sorption..." via
@elsevierconnect.bsky.social doi.org/10.1016/S004...
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Reciprocal distance sum Randić-like index has been proposed in "Design of topological indices..." doi.org/10.1007/BF01...
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Reciprocal distance sum Randić-like index has been proposed in "Design of topological indices..." doi.org/10.1007/BF01...
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Maximum intramolecular distance is the maximum Euclidean distance between any atom pair in the molecule
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Maximum intramolecular distance is the maximum Euclidean distance between any atom pair in the molecule
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Intrinsic state pseudoconnectivity indices have been described in "Modeling with Molecular Pseudoconnectivity Descriptors. A Useful..." doi.org/10.1021/jp00...
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Intrinsic state pseudoconnectivity indices have been described in "Modeling with Molecular Pseudoconnectivity Descriptors. A Useful..." doi.org/10.1021/jp00...
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Intrinsic state pseudoconnectivity indices have been described in "Modeling with Molecular Pseudoconnectivity Descriptors. A Useful..." doi.org/10.1021/jp00...
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Intrinsic state pseudoconnectivity indices have been described in "Modeling with Molecular Pseudoconnectivity Descriptors. A Useful..." doi.org/10.1021/jp00...
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