Chemoface

软件描述

Chemoface 是一种新颖的免费、易于使用的化学计量学用户界面。Chemoface 包含多个模块,能够解决实验设计、模式识别、分类和多元校准等相关问题。

官方网站

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官方认证

www.ufla.br

安全链接HTTPS

什么是 Chemoface?

A software for multivariate analysis was developed in order to provide a free computational tool with user-friendly graphical interface for researchers, professors and students with interest in chemometrics. Chemoface comprises modules that can solve problems related to experimental design, pattern recognition, classification and multivariate calibration. It allows obtaining a variety of high quality graphics and tables to explore results. In this work, the main features of Chemoface are explored using case studies reported in the literature, such as optimization of adsorption of indigo dye on chitosan using full factorial design, exploratory analysis of propolis samples characterized by ESI-MS (electrospray ionization-mass spectrometry) using PCA (principal component analysis) and HCA (hierarchical cluster analysis), MIA-QSAR (multivariate image analysis applied to quantitative structure activity relationship) modeling for the prediction of kinetic parameter related to activities of peptides against dengue using PLS (partial least squares), and classification of wine samples from different varieties using PLS-DA (PLS discriminant analysis). All examples are illustrated with graphs and tables obtained by means of Chemoface.