NERDD: a web portal providing access to in silico tools for drug discovery
NERDD: a web portal providing access to in silico tools for drug discovery
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DOI：
10.1093/bioinformatics/btz695
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发表时间：
2020-02-15
期刊：
影响因子：
5.8
通讯作者：
Kirchmair, Johannes
中科院分区：
文献类型：
--
作者：
Stork, Conrad;Embruch, Gerd;Kirchmair, Johannes
一个总结：药物发现新电子资源（NERDD）是一个快速扩展的门户网站，专注于为药物发现提供同行评审的计算机工具。NERDD目前拥有用于预测小有机分子的代谢位点（FAME）和代谢物（GLORY）的工具，用于标记可能干扰生物测定的化合物（Hit Dexter），以及用于识别大型化合物集合中的天然产物和天然产物衍生物（NP-Scout）。目前正在开发其他几种型号和组件。
A Summary: The New E-Resource for Drug Discovery (NERDD) is a quickly expanding web portal focused on the provision of peer-reviewed in silico tools for drug discovery. NERDD currently hosts tools for predicting the sites of metabolism (FAME) and metabolites (GLORY) of small organic molecules, for flagging compounds that are likely to interfere with biological assays (Hit Dexter), and for identifying natural products and natural product derivatives in large compound collections (NP-Scout). Several additional models and components are currently in development.