Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces
This paper describes first how Euclidian- and Minkowskian–Banach spaces are related via the definition of a metric or signature vector. Also, it is discussed later on how these spaces can be generated using homothecies of the unit sphere or shell. Such possibility allows for proposing a process aimi...
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/22765 |
| Acceso en línea: | http://hdl.handle.net/10256/22765 |
| Access Level: | acceso abierto |
| Palabra clave: | Semblança molecular quàntica Quantum Molecular Similarity Química quàntica Quantum chemistry |
| Sumario: | This paper describes first how Euclidian- and Minkowskian–Banach spaces are related via the definition of a metric or signature vector. Also, it is discussed later on how these spaces can be generated using homothecies of the unit sphere or shell. Such possibility allows for proposing a process aiming at the dimension condensation in such spaces. The condensation of dimensions permits the account of the incompleteness of classical QSPR procedures, independently of whether the algorithm used is statistical bound or AI-neural network related. Next, a quantum QSPR framework within Minkowskian vector spaces is discussed. Then, a well-defined set of general isometric vectors is proposed, and connected to the set of molecular density functions generating the quantum similarity metric matrix. A convenient quantum QSPR algorithm emerges from this Minkowskian mathematical structure and isometry |
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