Hopfield Neural Network-Based Algorithm Applied to Differential Scanning Calorimetry Data for Kinetic Studies in Polymorphic Conversion

• Autor(a) principal: Araujo,Bárbara C. R.
• Data de Publicação: 2020
• Outros Autores: Carvalho,Felipe S., Marques,Maria Betânia F., Braga,João Pedro, Sebastião,Rita C. O.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Journal of the Brazilian Chemical Society (Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532020000701392
• topic: kinetic study; neural network; DSC; thermal analysis

A general kinetic equation to simulate differential scanning calorimetry (DSC) data was employed along this work. Random noises are used to generate a thousand data, which are considered to evaluate the performance of Levenberg-Marquardt (LM) and a Hopfield neural network (HNN) based algorithm in the fitting process. The HNN-based algorithm showed better results for two different initial conditions: exact and approximated values. After this statistical analysis, DSC experimental data at three heating rates for losartan potassium, an antihypertensive drug, was adjusted by the HNN method using different initial conditions to obtain the activation energy and frequency factor. Additionally, it was possible to recover the parameters for the kinetic model with accuracy, showing that the conversion is described by a complex process, once these values do not correspond to any ideal models described in the literature.