Computational prediction of drug toxicity: the case of mutagenicity and carcinogenicity

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• 作者：Romualdo Benigni ^{rbenigni@iss.it}
• 刊名：Drug Discovery Today: Technologies
• 出版年：2004
• 出版时间：December 2004
• 年：2004
• 卷：1
• 期：4
• 页码：457-463
• 全文大小：140 K

文摘

The removal of pharmaceuticals from the market is a dramatic demonstration of the urgency of implementing better approaches for the early detection of drug toxicity. This paper summarizes the attempts to predict mutagenicity and carcinogenicity from the chemical structure. The limitations of the available commercial systems are pointed out and the urgency of integrating higher levels of chemical knowledge is stressed.