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推理性药物设计(Rational Drug Design)致力于在已知的经验量(或理论量)与测得的生物活性之间建立一种数学关系。通常用Hansch方程或Free-Wilson方法进行研究。为了获得有意义的统计回归方程,需要大量确切生物活性的试验化合物,并且要求避免出现偶然相
Rational Drug Design aims to establish a mathematical relationship between the known empirical (or theoretical) and measured biological activity. The Hansch equation or the Free-Wilson method is often used for research. In order to obtain meaningful statistical regression equations, a large number of test compounds are required that are exactly bioactive and require the avoidance of accidental phases