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scopus(56)
Chemical bonds from the condition of minimal pair fluctuation: Correlated case
ArticleAbstract: A novel approach connecting the intuitive idea of chemical bond with a quantum mechanical descriptioPalabras claves:Autores:Ponec R., Ramón Carbö-D̈orcaFuentes:scopusComment on "chemoselectives in acetalization, thioacetalization, oxathioacetalization and azathioacetalization"
OtherAbstract:Palabras claves:Autores:Bultinck P., Ramón Carbö-D̈orcaFuentes:scopusAverage energy and quantum similarity of a time dependent quantum system subject to Pöschl–Teller potential
ArticleAbstract: Exact solutions of time-dependent Schrödinger equation in presence of generalized Pöschl–Teller likePalabras claves:Average energy, Pöschl–Teller potential, Quantum similarity index, Rovibrational energy, Time-dependent Schrödinger equationAutores:Nath D., Ramón Carbö-D̈orcaFuentes:scopusBinary Whale Optimization Algorithm with Logarithmic Decreasing Time-Varying Modified Sigmoid Transfer Function for Descriptor Selection Problem
Conference ObjectAbstract: In cheminformatics, choosing the right descriptors is a crucial step in improving predictive models,Palabras claves:ATS drug classification, Binary whale optimization algorithm, Modified logarithmic decreasing time-varying update technique, Time-varying transfer functionAutores:Abraham A., Muda A.K., Pratama S.F., Ramón Carbö-D̈orca, Yusof N.M.Fuentes:scopusConstruction of coherent nano quantitative structure-properties relationships (nano-QSPR) models and catastrophe theory
ArticleAbstract: The structure one can associate to coherent nano-quantitative structure-properties relationship (nanPalabras claves:Catastrophe theory, Nano-QSPR, Nanoparticle size role within nano-QSPR, Nanotechnology (nanotech), QSPRAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusCoulomb and overlap self-similarities: A comparative selectivity analysis of structure-function relationships for auxin-like molecules
ArticleAbstract: Auxins are defined mainly by a set of physiological actions, but the structure-effect relationship sPalabras claves:Autores:Bultinck P., Ferro N., Gallegos A., Jacobsen H.J., Ramón Carbö-D̈orca, Reinard T.Fuentes:scopusAmphetamine-type stimulants (ATS) drug classification using shallow one-dimensional convolutional neural network
ArticleAbstract: Abstract: Amphetamine-type stimulants (ATS) drug analysis and identification are challenging and criPalabras claves:1D convolutional neural network, Amphetamine-type stimulants, Drug classification, Moment invariantsAutores:Mohd Yusof N., Muda A.K., Pratama S.F., Ramón Carbö-D̈orcaFuentes:scopusApplication of molecular quantum similarity to QSAR
ArticleAbstract: Molecular Quantum Similarity Measures (MQSM), which allow quantitative comparison between molecularPalabras claves:Baker triazines, Carbó index, Indole derivatives, Non-branched alkanes, QSAR, QSPR, Quantum Molecular Similarity MeasuresAutores:Amat L., Besalu E., Fradera X., Ramón Carbö-D̈orcaFuentes:scopusAromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation
ArticleAbstract: A causal relation connecting aromaticity with the current aromaticity descriptors used in the literaPalabras claves:Aromaticity, collective quantum multimolecular polyhedra condensed distances and indices, quantum multimolecular polyhedra, Quantum QSPR fundamental equationAutores:Ramón Carbö-D̈orcaFuentes:scopusDetermination of unknown molecular properties in molecular spaces
ArticleAbstract: A new algorithm is described to evaluate the values of unknown molecular properties. The whole compuPalabras claves:Evaluation of unknown molecular properties, Molecular gram matrices, Molecular space, Parameter or descriptor space, QSAR, QSPR, quantum QSPR, Quantum Similarity, Similarity matrixAutores:Ramón Carbö-D̈orcaFuentes:scopus