【摘 要】
：
Today the number of unique chemical compounds available for screening on the commercial basis is about twenty millions.The number of potential pharmacological targets is quickly growing due to the ach
【机 构】
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Vice-Director (Research), Head of Laboratory for Structure-Function Based Drug Design,Institute of B
【出 处】
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2005 WHTS3rd Annual Congress of International Drug Discovery
论文部分内容阅读
Today the number of unique chemical compounds available for screening on the commercial basis is about twenty millions.The number of potential pharmacological targets is quickly growing due to the achievements of "omic"-sciences and bioinformatics.Despite the development of new ultra-HTS technologies, a breach between the number of available compounds and ability to test them against all known targets is permanently increasing.By using computer prediction of biological activity spectra on the basis of accumulated information about targets and ligands, this breach can be reduced significantly.As a result, new knowledge about structure-activity relationships will be obtained for compounds under study, and risk to miss useful pharmacological or dangerous adverse/toxic effects will be considerably decreased.
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