【摘 要】
：
The effort to replace chemical ring systems forms a large part of the medicinal chemistry practice.This paper describes effort at GlaxoSmithKline in developing a comprehensive database of drug rings s
【机 构】
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Computational and Structural Chemistry GlaxoSmithKline UK
【出 处】
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中国上海第七届国际新药发明科技年会
论文部分内容阅读
The effort to replace chemical ring systems forms a large part of the medicinal chemistry practice.This paper describes effort at GlaxoSmithKline in developing a comprehensive database of drug rings supported by a web-enabled searching system.Analysis of the rings found in several major chemical databases will be described.The use of the database will be illustrated through application to lead discovery programs for which bioisosteres and geometric isosteres were sought.Some recent improvements to the database including scaffolds and RECAP fragments will also be briefly mentioned.
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