Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their...
Ausführliche Beschreibung
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| Autor*in: |
Carbó-Dorca, Ramon [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2011 |
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| Schlagwörter: |
Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances |
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| Anmerkung: |
© Springer Science+Business Media, LLC 2011 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of mathematical chemistry - Springer Netherlands, 1987, 50(2011), 5 vom: 25. Dez., Seite 1161-1178 |
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| Übergeordnetes Werk: |
volume:50 ; year:2011 ; number:5 ; day:25 ; month:12 ; pages:1161-1178 |
| Links: |
|---|
| DOI / URN: |
10.1007/s10910-011-9960-y |
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OLC206041587X |
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| 520 | |a Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. | ||
| 650 | 4 | |a Density functions | |
| 650 | 4 | |a Shape functions | |
| 650 | 4 | |a Centroid origin shift | |
| 650 | 4 | |a Quantum object sets (QOS) | |
| 650 | 4 | |a Molecular point clouds (MPC) | |
| 650 | 4 | |a Molecular point huts (MPH) | |
| 650 | 4 | |a Quantum similarity | |
| 650 | 4 | |a Quantum similarity matrices (SM) | |
| 650 | 4 | |a Molecular dissimilarity Euclidian distances | |
| 650 | 4 | |a Molecular similarity Carbó indices (CI) | |
| 650 | 4 | |a Space of molecules | |
| 650 | 4 | |a Space of descriptors | |
| 700 | 1 | |a Besalú, Emili |4 aut | |
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10.1007/s10910-011-9960-y doi (DE-627)OLC206041587X (DE-He213)s10910-011-9960-y-p DE-627 ger DE-627 rakwb eng 510 540 VZ Carbó-Dorca, Ramon verfasserin aut Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons 2011 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC 2011 Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. Density functions Shape functions Centroid origin shift Quantum object sets (QOS) Molecular point clouds (MPC) Molecular point huts (MPH) Quantum similarity Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances Molecular similarity Carbó indices (CI) Space of molecules Space of descriptors Besalú, Emili aut Enthalten in Journal of mathematical chemistry Springer Netherlands, 1987 50(2011), 5 vom: 25. Dez., Seite 1161-1178 (DE-627)129246441 (DE-600)59132-4 (DE-576)27906036X 0259-9791 nnns volume:50 year:2011 number:5 day:25 month:12 pages:1161-1178 https://doi.org/10.1007/s10910-011-9960-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-MAT GBV_ILN_70 GBV_ILN_2409 GBV_ILN_4012 AR 50 2011 5 25 12 1161-1178 |
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10.1007/s10910-011-9960-y doi (DE-627)OLC206041587X (DE-He213)s10910-011-9960-y-p DE-627 ger DE-627 rakwb eng 510 540 VZ Carbó-Dorca, Ramon verfasserin aut Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons 2011 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC 2011 Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. Density functions Shape functions Centroid origin shift Quantum object sets (QOS) Molecular point clouds (MPC) Molecular point huts (MPH) Quantum similarity Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances Molecular similarity Carbó indices (CI) Space of molecules Space of descriptors Besalú, Emili aut Enthalten in Journal of mathematical chemistry Springer Netherlands, 1987 50(2011), 5 vom: 25. Dez., Seite 1161-1178 (DE-627)129246441 (DE-600)59132-4 (DE-576)27906036X 0259-9791 nnns volume:50 year:2011 number:5 day:25 month:12 pages:1161-1178 https://doi.org/10.1007/s10910-011-9960-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-MAT GBV_ILN_70 GBV_ILN_2409 GBV_ILN_4012 AR 50 2011 5 25 12 1161-1178 |
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10.1007/s10910-011-9960-y doi (DE-627)OLC206041587X (DE-He213)s10910-011-9960-y-p DE-627 ger DE-627 rakwb eng 510 540 VZ Carbó-Dorca, Ramon verfasserin aut Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons 2011 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC 2011 Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. Density functions Shape functions Centroid origin shift Quantum object sets (QOS) Molecular point clouds (MPC) Molecular point huts (MPH) Quantum similarity Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances Molecular similarity Carbó indices (CI) Space of molecules Space of descriptors Besalú, Emili aut Enthalten in Journal of mathematical chemistry Springer Netherlands, 1987 50(2011), 5 vom: 25. Dez., Seite 1161-1178 (DE-627)129246441 (DE-600)59132-4 (DE-576)27906036X 0259-9791 nnns volume:50 year:2011 number:5 day:25 month:12 pages:1161-1178 https://doi.org/10.1007/s10910-011-9960-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-MAT GBV_ILN_70 GBV_ILN_2409 GBV_ILN_4012 AR 50 2011 5 25 12 1161-1178 |
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10.1007/s10910-011-9960-y doi (DE-627)OLC206041587X (DE-He213)s10910-011-9960-y-p DE-627 ger DE-627 rakwb eng 510 540 VZ Carbó-Dorca, Ramon verfasserin aut Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons 2011 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC 2011 Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. Density functions Shape functions Centroid origin shift Quantum object sets (QOS) Molecular point clouds (MPC) Molecular point huts (MPH) Quantum similarity Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances Molecular similarity Carbó indices (CI) Space of molecules Space of descriptors Besalú, Emili aut Enthalten in Journal of mathematical chemistry Springer Netherlands, 1987 50(2011), 5 vom: 25. Dez., Seite 1161-1178 (DE-627)129246441 (DE-600)59132-4 (DE-576)27906036X 0259-9791 nnns volume:50 year:2011 number:5 day:25 month:12 pages:1161-1178 https://doi.org/10.1007/s10910-011-9960-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-MAT GBV_ILN_70 GBV_ILN_2409 GBV_ILN_4012 AR 50 2011 5 25 12 1161-1178 |
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10.1007/s10910-011-9960-y doi (DE-627)OLC206041587X (DE-He213)s10910-011-9960-y-p DE-627 ger DE-627 rakwb eng 510 540 VZ Carbó-Dorca, Ramon verfasserin aut Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons 2011 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC 2011 Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. Density functions Shape functions Centroid origin shift Quantum object sets (QOS) Molecular point clouds (MPC) Molecular point huts (MPH) Quantum similarity Quantum similarity matrices (SM) Molecular dissimilarity Euclidian distances Molecular similarity Carbó indices (CI) Space of molecules Space of descriptors Besalú, Emili aut Enthalten in Journal of mathematical chemistry Springer Netherlands, 1987 50(2011), 5 vom: 25. Dez., Seite 1161-1178 (DE-627)129246441 (DE-600)59132-4 (DE-576)27906036X 0259-9791 nnns volume:50 year:2011 number:5 day:25 month:12 pages:1161-1178 https://doi.org/10.1007/s10910-011-9960-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-MAT GBV_ILN_70 GBV_ILN_2409 GBV_ILN_4012 AR 50 2011 5 25 12 1161-1178 |
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Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons |
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Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons |
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Carbó-Dorca, Ramon |
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Journal of mathematical chemistry |
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Journal of mathematical chemistry |
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eng |
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2011 |
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Carbó-Dorca, Ramon Besalú, Emili |
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Carbó-Dorca, Ramon |
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10.1007/s10910-011-9960-y |
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510 540 |
| title_sort |
centroid origin shift of quantum object sets and molecular point clouds description and element comparisons |
| title_auth |
Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons |
| abstract |
Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. © Springer Science+Business Media, LLC 2011 |
| abstractGer |
Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. © Springer Science+Business Media, LLC 2011 |
| abstract_unstemmed |
Abstract Shifting the origin of a known quantum object set (QOS) or of some discrete molecular point cloud (MPC) by choosing the centroid of such sets, leads to the way to produce quantum similarity matrices (SM) and tensors, which can be systematically referred to a canonical origin, whatever their nature, dimension or cardinality. In this paper the source, significance and properties of such centroid origin shift and the characteristics of the resultant shifted SM are discussed in deep. From such an analysis some interesting applications emerge; as, for instance, a new collection of MPC ordering possibilities. In addition, although all the procedures in this work are described by means of a quantum similarity theoretical background, based on QOS structure within the space of molecules, everything can be also easily implemented in a classical QSPR framework made of molecular numerical images attached to discrete molecular vectors, constructed with well-defined descriptor parameters. © Springer Science+Business Media, LLC 2011 |
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Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons |
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2024-07-04T01:17:19.342Z |
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