Blood concentration monitoring of tacrolimus in patients with nephrotic syndrome and establishment of MLP prediction model / 中国药房

OBJECTIVE To investigate the monitoring of tacrolimus blood concentration in patients with nephrotic syndrome （NS），and to establish a prediction model for tacrolimus blood concentration. METHODS Data from 509 concentration monitoring sessions of 166 NS patients using tacrolimus were collected from January 1， 2020 to August 31， 2023 in Zhongshan Hospital Affiliated to Xiamen University. The relationship of efficacy and adverse drug reaction（ADR） with blood concentration was analyzed. A multilayer perceptron （MLP） prediction model was established by using the blood concentration monitoring data of 302 times from 109 NS patients with genetic information， and then verified. RESULTS In terms of efficacy， the median blood concentration of tacrolimus in the non-remission group was 2.20 ng/mL， which was significantly lower than that in the partial remission group （4.00 ng/mL， P＜0.001） and the complete remission group （3.60 ng/mL， P＝0.002）. In terms of ADR， the median blood concentration of tacrolimus in the ADR group was 5.01 ng/mL， which was significantly higher than that in the non-ADR group （3.37 ng/mL） （P＝0.001）. According to the subgroup analysis of the receiver operating characteristic curve， when the blood concentration of tacrolimus was ≥6.65 ng/mL， patients were more likely to develop elevated blood creatinine [area under the curve （AUC） was 0.764， P＜0.001）； when the blood concentration of tacrolimus was ≥6.55 ng/mL， patients were more likely to develop blood glucose （AUC＝0.615， P＝ 0.005）. The established MLP prediction model has a loss function of 0.9， with an average absolute error of 0.279 5 ng/mL between the predicted and measured values. The determination coefficient of the validation scatter plot was 0.984， indicating an excellent predictive performance of the model. CONCLUSION Tacrolimus blood concentration has an impact on both efficacy and ADR in NS patients. The use of the MLP model for predicting blood concentration exhibits high accuracy with minimal error between predicted and measured values. The model can be used as an important tool in clinical individualized medication regimens.

Reconocimiento de rutas biosintéticas para semioquímicos mediante técnicas de aprendizaje de máquina

En este trabajo consideramos 148 semioquímicos reportados para la familia Scarabaeidae, cuya estructura química fue caracterizada empleando un conjunto de 200 descriptores moleculares de cinco clases distintas. La selección de los descriptores más discriminantes se realizó con tres técnicas: análisis de componentes principales, por cada clase de descriptores, bosques aleatorios y Boruta-Shap, aplicados al total de descriptores. A pesar de que las tres técnicas son conceptualmente diferentes, seleccionan un número de descriptores similar de cada clase. Propusimos una combinación de técnicas de aprendizaje de máquina para buscar un patrón estructural en el conjunto de semioquímicos y posteriormente realizar la clasificación de estos. El patrón se estableció a partir de la alta pertenencia de un subconjunto de estos metabolitos a los grupos que fueron obtenidos por un método de agrupamiento basado en lógica difusa, C-means; el patrón descubierto corresponde a las rutas biosintéticas por las cuales se obtienen biológicamente. Esta primera clasificación se corroboró con el empleo de mapas autoorganizados de Kohonen. Para clasificar aquellos semioquímicos cuya pertenencia a una ruta no quedaba claramente definida, construimos dos modelos de perceptrones multicapa, los cuales tuvieron un desempeño aceptable.

In this work we consider 148 semiochemicals reported for the family Scarabaeidae, whose chemical structure was characterized using a set of 200 molecular descriptors from five different classes. The selection of the most discriminating descriptors was carried out with three different techniques: Principal Component Analysis, for each class of descriptors, Random Forests and Boruta-Shap, applied to the total of descriptors. Although the three techniques are conceptually different, they select a similar number of descriptors from each class. We proposed a combination of machine learning techniques to search for a structural pattern in the set of semiochemicals and then perform their classification. The pattern was established from the high belonging of a subset of these metabolites to the groups that were obtained by a grouping method based on fuzzy C-means logic; the discovered pattern corresponds to the biosynthetic pathway by which they are obtained biologically. This first classification was corroborated with Kohonen's self-organizing maps. To classify those semiochemicals whose belonging to a biosynthetic pathway was not clearly defined, we built two models of Multilayer Perceptrons which had an acceptable performance.

Neste trabalho consideramos 148 semioquímicos reportados para a família Scarabaeidae, cuja estrutura química foi caracterizada usando um conjunto de 200 descritores moleculares de 5 classes diferentes. A seleção dos descritores mais discriminantes foi realizada com três técnicas diferentes: Análise de Componentes Principais, para cada classe de descritores, Florestas Aleatórias e Boruta-Shap, aplicadas a todos os descritores. Embora as três técnicas sejam conceitualmente diferentes, elas selecionaram um número semelhante de descritores de cada classe. Nós propusemos uma combinação de técnicas de aprendizado de máquina para buscar um padrão estrutural no conjunto de semioquímicos e então realizar sua classificação. O padrão foi estabelecido a partir da alta pertinência de um subconjunto desses metabólitos aos grupos que foram obtidos por um método de agrupamento baseado em lógica fuzzy, C-means; o padrão descoberto corresponde às rotas biossintéticas pelas quais eles são obtidos biologicamente. Essa primeira classificação foi corroborada com o uso dos mapas auto-organizados de Kohonen. Para classificar os semioquímicos cuja pertença a uma rota não foi claramente definida, construímos dois modelos de Perceptrons Multicamadas que tiveram um desempenho aceitável.

Wavelet packet transform and multilayer perceptron to identify voices with a mild degree of vocal deviation / Transformada Wavelet packet y Perceptrón Multicapa para identificación de voces con grado leve de desvío vocal

Introduction. Laryngeal disorders are characterized by a change in the vibratory pattern of the vocal folds. This disorder may have an organic origin described by anatomical fold modification, or a functional origin caused by vocal abuse or misuse. The most common diagnostic methods are performed by invasive imaging features that cause patient discomfort. In addition, mild voice deviations do not stop the in-dividual from using their voices, which makes it difficult to identify the problem and increases the possibility of complications. Aim. For those reasons, the goal of the present paper was to develop a noninvasive alternative for the identification of voices with a mild degree of vocal deviation ap-plying the Wavelet Packet Transform (WPT) and Multilayer Perceptron (MLP), an Artificial Neural Network (ANN). Methods. A dataset of 74 audio files were used. Shannon energy and entropy mea-sures were extracted using the Daubechies 2 and Symlet 2 families and then the processing step was performed with the MLP ANN. Results. The Symlet 2 family was more efficient in its generalization, obtaining 99.75% and 99.56% accuracy by using Shannon energy and entropy measures, re-spectively. The Daubechies 2 family, however, obtained lower accuracy rates: 91.17% and 70.01%, respectively. Conclusion. The combination of WPT and MLP presented high accuracy for the identification of voices with a mild degree of vocal deviation

ntroducción. Los trastornos laríngeos se caracterizan por un cambio en el patrón vibratorio de los pliegues vocales. Este trastorno puede tener un origen orgánico, descrito como la modificación anatómica de los pliegues vocales, o de origen fun-cional, provocado por abuso o mal uso de la voz. Los métodos de diagnóstico más comunes se realizan mediante procedimientos invasivos que causan malestar al pa-ciente. Además, los desvíos vocales de grado leve no impiden que el individuo utilice la voz, lo que dificulta la identificación del problema y aumenta la posibilidad de complicaciones futuras.Objetivo. Por esas razones, el objetivo de esta investigación es desarrollar una he-rramienta alternativa, no invasiva para la identificación de voces con grado leve de desvío vocal aplicando Transformada Wavelet Packet (WPT) y la red neuronal artifi-cial del tipo Perceptrón Mutlicapa (PMC). Métodos. Fue utilizado un banco de datos con 78 voces. Fueron extraídas las me-didas de energía y entropía de Shannon usando las familias Daubechies 2 y Symlet 2 para después aplicar la red neuronal PMC. Resultados. La familia Symlet 2 fue más eficiente en su generalización, obteniendo un 99.75% y un 99.56% de precisión mediante el uso de medidas de energía y en-tropía de Shannon, respectivamente. La familia Daubechies 2, sin embargo, obtuvo menores índices de precisión: 91.17% y 70.01%, respectivamente. Conclusión. La combinación de WPT y PMC presentó alta precisión para la iden-tificación de voces con grado leve de desvío vocal

Implementation of Artificial Neural Networks and Decision Tree Algorithms for Heart Disease Diagnosis

Background: Various indices derived from red blood cell (RBC) parameters have been described for distinguishing betathalassemia minor and other types of hypochromic microcytic anemia. Objective: The study is aimed at investigating thediagnostic reliability of different RBC indices and formulas in differentiation between beta thalassemia minor and othertypes of hypochromic microcytic anemia. Subjects and Methods: This is a cross‐sectional study which was carried out sincefirst of Jan 2011 to end of December 2011 on 171 children with hypochromic microcytic anemia in Kut Oncology Centre,Wasit, Iraq. Results: There was a statistical significant difference between thalassemic group and other groups regardingblood indices as well as the eight formulas which were used. The highest correctly identified patients (PCIP) was reportedfor RBCs count (84%) with sensitivity and specificity of 96.3%. The Youden's index for RBCs was 58.2 which is the highestvalue compared with other seven parameters or indices which were used in this study. The second highest Youden's indexwas for G & K index, with 78.4% PCIP, and sensitivity and specificity of 98.2%. Youden's index of red cell distributionwidth (RDW) was the lowest value compared to other values used in this study as well as the lowest percentage of correctlyidentified patients (65%). The sensitivity and specificity of RDW for BTM was 86.1%. Conclusion: According to this study,cell counter-based parameters and formulas, particularly RBCs, and Green and King index are superior to all othermethods examined for distinguishing between thalassemia trait and other hypochromic microcytic anemia; while, RDW wasinadequate and ineffective for that purpose.

Lukasiewicz logic based Fuzzy similarity classifier for Denver group chromosomal classification / Utilizando lógica de Lukasiewicz baseada em similaridade Fuzzy na classificação de cromossomos do tipo Denver group

This paper proposes a novel P1-weighted Lukasiewicz Logic based Fuzzy Similarity Classifier for classifying Denver Group of chromosomes and compares its performance with the other classifiers under study. A chromosome is classified to one of the seven groups from A to G, based on the Denver System of classification of chromosomes. Chromosomes within a particular Denver Group are difficult to identify, possessing almost identical characteristics for the extracted features. This work evaluates the performance of supervised classifiers including Naive Bayes, Support Vector Machine with Gaussian Kernel (SVM), Multilayer perceptron (MLP) and a novel, unsupervised, P1-weighted Lukasiewicz Logic based Fuzzy Similarity Classifier, in classifying the Denver Group of chromosomes. A fundamental review on fuzzy similarity based classification is presented. Experimental results clearly demonstrates that the proposed P1-weighted Lukasiewicz Logic based Fuzzy Similarity Classifier using the generalized Minkowski mean metric, produces the best classification results, almost identical to the Ground Truth values. One-way Analysis of Variance (ANOVA) at 95% and 99% level of confidence and Tukey's post-hoc analysis is performed to validate the selection of the classifier. The proposed P1-weighted Lukasiewicz Logic based Fuzzy Similarity Classifier gives the most promising classification results and can be applied to any large scale biomedical data and other applications.

Este trabalho propõe uma nova lógica P1pondera de Lukasiewicz de acordo com o classificador de similarida fuzzy para classificar cromossomas do Grupo Denver e compara o seu desempenho com os outros classificadores em estudo. Um cromossoma é classificado com um dos sete grupos de A a G, com base no Sistema de Denver de classificação de cromossomos. Cromossomos dentro de um grupo de Denver particular são difíceis de identificar, com características quase idênticas para os recursos extraídos. Este trabalho avalia o desempenho de classificadores supervisionados, incluindo Naive Bayes, Support Vector Machine com Gaussian Kernel (SVM), perceptron multicamadas (MLP) e um novo classificador sem supervisão, P1-weighted, lógica de Lukasiewicz de acordo com o classificador de similaridade Fuzzy para a classificação do Grupo Denver de cromossomos . Apresenta-se ma revisão fundamentada na classificação de acordo com similaridade difusa. Resultados experimentais demonstram claramente que Classificador Similaridade Fuzzy proposto de acordo com a lógica de Lukasiewicz P1-weighted usando a médica métrica de Minkowski para produz melhores resultados de classificação. Estes valores foram muito similares aos valores de Ground Truth . Análise de variancia (ANOVA) com 95% de grau de confiança e análise post-hoc de Tukey 99% foram realizadas para validar a seleção do classificador. Este classificador P1-weighted de lógica de Lukasiewicz está de acordo com o classificador de similaridade difusa oferecendo resultados declassificação mais promissoras. Portanto, podendo ser aplicado a dados biomédicos em larga escala além de outras aplicações.

Modelación de l estructura jerárquica de macronvertebrados bentónicos a travéés de redes neuronales artificiales / Modeling of the Hierarchical Structure of Freshwater Macroinvertebrates Using Artificial Neural Networks

El estudio de la estructura jerárquica de comunidades ecológicas, se ha sintetizado de manera regular a través de técnicas multivariadas de ordenación o clasificación. Sin embargo, al contarse actualmente con herramientas analíticas de computación bioinspirada provenientes de la inteligencia artificial, existe la oportunidad de establecer modelos ecológicos, con características deseables como flexibilidad, exactitud, robustez y confiabilidad. En este contexto, esta investigación utilizó dos métodos computacionales de utilidad en ecoinformática, referidos a redes neuronales artificiales (RNARs) para la modelación de la estructura jerárquica de una comunidad de macroinvertebrados bentónicos en términos de auto-organización y predicción. El primer método de modelación consistió en un mapa de auto-organización (MAU), una herramienta de aprendizaje no supervisado que clasificó las especies de macroinvertebrados; este MAU tomó en la capa de entrada la abundancia de cada taxa, y en la de salida proyectó su clasificación en 15 unidades y cuatro agrupamientos jerárquicos. La segunda RNA, correspondió a un Perceptrón multicapa de alimentación adelantada con algoritmo de retropropagación, que modeló separadamente la riqueza y la abundancia de Ephemeroptera, Coleoptera y Trichoptera (ECT), en función de nueve variables fisicoquímicas; la arquitectura del perceptrón correspondió a una constitución de nueve, siete, y una neurona en las capas de entrada, intermedia y salida, respectivamente. Los resultados sugieren que las RNARs utilizadas evidenciaron tanto los patrones jerárquicos, como los de riqueza y abundancia de ECT de manera adecuada, al tiempo que facilitaron el análisis de los datos y el entendimiento de la dinámica de la comunidad de macroinvertebrados, objeto de estudio.

The study of hierarchical structures of ecological communities has been synthesized in an ordinary way by means of multivariated techniques of ordination or clustering. Currently, analytical tools of bio-inspired computation belonging to the area of artificial intelligence are available to achieve ecological models with desirable characteristics, such as; flexibility, accuracy, robustness and reliability. In this context, this study employed two computational methods useful in ecoinformatics referring to artificial neural networks (RNAR) for the modeling of the hierarchical structure of a benthic macroinvertebrate community in self-organization and prediction terms. The first ANN modeling method consisted of a Kohonen self-organization map (SOM), a non-supervised learning tool that classify the species of macroinvertebrates; this SOM in the input layer of gets the abundance of each ‘taxa’ from the data matrix, while in the output layer was visualized the computational results. Thus, in the output layer the species are organized in fifteen units and four hierarchical clusters. The second ANN method applied consisted of a multilayer feed-forward perceptron net with back-propagation algorithm to predict the three major insect orders; this means, Ephemeroptera, Coleoptera and Trichoptera (ECT) richness and abundance using a set of nine physical-chemical variables. This ANN architecture included a neuron for each environmental variable, a hidden layer with seven neurons and a neuron in the output layer for ECT prediction. The results suggest that both types of ANN used, SOM and perceptron, were correspondingly related to the hierarchical patterns and with the richness and abundance patterns’ predictions, and gave the data analysis and understanding of the dynamic of the macroinvertebrates community, in a correct way.