Microbial pathway prediction: A functional group approach
Microbial pathway prediction: A functional group approach
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DOI：
10.1021/ci034018f
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发表时间：
2003-05-01
期刊：
影响因子：
--
通讯作者：
Ellis, LBM
中科院分区：
文献类型：
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作者：
Hou, BK;Wackett, LP;Ellis, LBM
我们已经开发了一个系统来预测微生物催化剂，使用明尼苏达大学生物催化/生物降解数据库（UM-BBD，http：//umbbd.ahc.umn.edu/）作为知识库。本系统，可在Web上（http：//umbbd.ahc.umn.edu/predict/），可以预测的主要脂肪族和芳香族的有机官能团，含有C，H，N，O和卤素的生物降解。它可以复制至少一个已知的生物降解途径的60%的化合物在84个成员的验证集;大多数途径，没有完全复制已知的代谢可能会在自然界中发生。鼓励用户并已开始提交更多的生物转化规则和对现有规则的评论;该系统将在科学界的指导下进一步发展。
We have developed a system to predict microbial catabolism, using the University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD, http://umbbd.ahc.umn.edu/) as a knowledge base. The present system, available on the Web (http://umbbd.ahc.umn.edu/predict/), can predict biodegradation of most of the major aliphatic and aromatic organic functional groups containing C, H, N, O, and halogens. It can duplicate at least one known biodegradation pathway for 60% of the compounds in a 84-member validation set; most pathways that did not completely duplicate known metabolism could plausibly occur in nature. Users are encouraged, and have begun, to submit additional biotransformation rules and comment on existing rules; the system will further develop under the direction of the scientific community.