Development of a general quantum-chemica
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Zhen Xi; Zhihong Yu; Congwei Niu; Shurong Ban; Guangfu Yang
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Article
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2006
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John Wiley and Sons
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English
β 125 KB
## Abstract Quantitative structureβactivity relationship (QSAR) analysis has become one of the most effective approaches for optimizing lead compounds and designing new drugs. Although large number of quantumβchemical descriptors were defined and applied successfully, it is still a big challenge to