DrugTax is an easy-to-use Python package for small molecule detailed characterization. It extends a previously explored chemical taxonomy making it ready-to-use in any Artificial Intelligence approach. DrugTax leverages small molecule representations as input in one of their most accessible and simple forms (SMILES) and allows the simultaneously extraction of taxonomy information and key features for big data algorithm deployment. In addition, it delivers a set of tools for bulk analysis and visualization that can also be used for chemical space representation and molecule similarity assessment. DrugTax is a valuable tool for chemoinformatic processing and can be easily integrated in drug discovery pipelines. DrugTax can be effortlessly installed via PyPI ( https://pypi.org/project/DrugTax/ ) or GitHub ( https://github.com/MoreiraLAB/DrugTax ).

中文翻译：

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DrugTax：用于药物分类识别和可解释特征提取的软件包

DrugTax 是一个易于使用的 Python 包，用于小分子的详细表征。它扩展了先前探索的化学分类法，使其可以在任何人工智能方法中使用。DrugTax 利用小分子表示作为其最容易访问和最简单的形式之一 (SMILES) 的输入，并允许同时提取分类信息和用于大数据算法部署的关键特征。此外，它还提供了一套用于批量分析和可视化的工具，也可用于化学空间表示和分子相似性评估。DrugTax 是一种用于化学信息处理的有价值的工具，可以很容易地集成到药物发现管道中。DrugTax 可以通过 PyPI ( https://pypi.org/project/DrugTax/ ) 或 GitHub ( https://github.com/MoreiraLAB/DrugTax ) 轻松安装。