Natural products (NPs), often also referred to as secondary metabolites, are small molecules synthesised by living organisms. Natural products are of interest due to their bioactivity and in this context as starting points for the development of drugs and other bioactive synthetic products. In order to select compounds from virtual libraries, Ertl et al. developed a natural product likeness score which was later published as an open data, open source implementation. Here we present NaPLeS, an easily portable, containerised, open source web application based on open data to compute natural product likeness scores for chemical libraries.

中文翻译：

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NaPLeS：天然产品相似度评分器-Web应用程序和数据库

天然产物（NPs），通常也称为次级代谢产物，是由生物体合成的小分子。天然产物因其生物活性而备受关注，在此背景下，它们是药物和其他生物活性合成产品开发的起点。为了从虚拟文库中选择化合物，Ertl等人。开发了自然产品相似度评分，该评分随后以开放数据，开放源代码实施的形式发布。在这里，我们介绍NaPLeS，这是一个基于开放数据的易于移植的容器化开放源代码Web应用程序，用于计算化学库的天然产物相似度得分。