A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine

Although natural medicines are generally considered to be safer than synthetic medicines, some reports on toxicity of many herb drugs, for example Traditional Chinese Medicine (TCM), attract more and more common public attention recently. The reasons for these cardiovascular toxic effects are not al...

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Main Authors:	Lu, Feng, Gu, Qiong, Wu, Ruibo, Xu, Jun
Format:	Online
Language:	English
Published:	Biomedical Informatics 2012
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3282267/

id	pubmed-3282267
recordtype	oai_dc
spelling	pubmed-32822672012-02-22 A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine Lu, Feng Gu, Qiong Wu, Ruibo Xu, Jun Software Although natural medicines are generally considered to be safer than synthetic medicines, some reports on toxicity of many herb drugs, for example Traditional Chinese Medicine (TCM), attract more and more common public attention recently. The reasons for these cardiovascular toxic effects are not always satisfactory. Not all these clinical symptoms can be observed regularly. Cardiovascular toxicity concern is one of the hindrances for TCM to enter international markets. Therefore, we create web-based software for people to evaluate TCM cardiovascular toxicity. The software, TCM Cardiovascular Toxicity Prediction (TCMCardioTox), is based on structure similarity search algorithm (http://rcdd.sysu.edu.cn:8080/home.aspx). When a user enter a TCM name, the system interprets the name as a number of active component structures, and computes the structure similarities of the components against a number of known toxiphores. If one of the similarity is greater than a given similarity threshold, the TCM will be reported as an alert TCM for medical uses. Biomedical Informatics 2012-01-20 /pmc/articles/PMC3282267/ /pubmed/22359446 Text en © 2012 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Lu, Feng Gu, Qiong Wu, Ruibo Xu, Jun
spellingShingle	Lu, Feng Gu, Qiong Wu, Ruibo Xu, Jun A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
author_facet	Lu, Feng Gu, Qiong Wu, Ruibo Xu, Jun
author_sort	Lu, Feng
title	A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
title_short	A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
title_full	A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
title_fullStr	A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
title_full_unstemmed	A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine
title_sort	structure-similarity-based software for the cardiovascular toxicity prediction of traditional chinese medicine
description	Although natural medicines are generally considered to be safer than synthetic medicines, some reports on toxicity of many herb drugs, for example Traditional Chinese Medicine (TCM), attract more and more common public attention recently. The reasons for these cardiovascular toxic effects are not always satisfactory. Not all these clinical symptoms can be observed regularly. Cardiovascular toxicity concern is one of the hindrances for TCM to enter international markets. Therefore, we create web-based software for people to evaluate TCM cardiovascular toxicity. The software, TCM Cardiovascular Toxicity Prediction (TCMCardioTox), is based on structure similarity search algorithm (http://rcdd.sysu.edu.cn:8080/home.aspx). When a user enter a TCM name, the system interprets the name as a number of active component structures, and computes the structure similarities of the components against a number of known toxiphores. If one of the similarity is greater than a given similarity threshold, the TCM will be reported as an alert TCM for medical uses.
publisher	Biomedical Informatics
publishDate	2012
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3282267/
_version_	1611506961568759808

A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine

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