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Molecular networks: An analysis on annotations and discovery of new assetsRedes moleculares: Uma análise sobre anotações e descoberta de novos ativos
(2021-01-01)
To speed up the discovery of bioactive natural products (NP), chemists have sought advanced approaches in analytical and computational chemistry in attempt to organize and extract information from large data sets. In this ...
Complex networks: the key to systems biology
(Sociedade Brasileira de Genética, 2008)
Though introduced recently, complex networks research has grown steadily because of its potential to represent, characterize and model a wide range of intricate natural systems and phenomena. Because of the intrinsic ...
Estudo químico dos fungos Stachybotrys levispora e Curvularia inaequalis: uso da rede molecular para a identificação de novos metabólitos
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Química - PPGQCâmpus São Carlos, 2019-05-03)
Saprobic fungus are being used as an alternative strategy to reduce the use of pesticides harmful to the environment. These microorganisms produce substances capable of inhibiting pathogens that affect agriculture. The ...
Molecular Networks in Dynamic Multilevel Systems
(Wiley VCH Verlag, 2018-09)
Dynamic multilevel systems can be assembled from molecular building blocks through two or more reversible reactions that form covalent bonds. Molecular networks of dynamic multilevel systems can exhibit different connectivities ...
Potential compound from herbal food of rhizoma polygonati for treatment of COVID-19 analyzed by network pharmacology and molecular docking tech- nology
Rhizoma Polygonati (huangjing in Chinese, 黄精) is an herb-homology-food used as
a component of alternative medicine treating COVID-19 in the current pandemic
emergency in China but the mechanisms remain elusive. Here using ...
Integrative meta-analysis identifies microRNA-regulated networks in infantile hemangioma
(2016-01-15)
Background: Hemangioma is a common benign tumor in the childhood; however our knowledge about the molecular mechanisms of hemangioma development and progression are still limited. Currently, microRNAs (miRNAs) have been ...
Prediction of the penetration of drugs by Artificial Neural Networks
In this study an Artificial Neural Network was developed to predict the penetration of drugs through a polydimethylsiloxane membrane by molecular descriptors. A total of 245 drugs and their absorption experimentally ...
Multilayer perceptron network and Vyazovkin method applied to the non-isothermal kinetic study of the interaction between lumefantrine and molecularly imprinted polymer
(Universidade Federal de Minas GeraisBrasilFAR - DEPARTAMENTO DE ALIMENTOSICX - DEPARTAMENTO DE QUÍMICAUFMG, 2021)