pharmacophore

moreover, development of pharmacophore point theory greatly increases the effectivity of virtual screening in the database.

而且，药效团模型理论的发展大大提高了在数据库中进行虚拟筛选的有效性。

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the experiment proves that the derivative plays better medicine effect than single pharmacophore.

实验证明这种衍生物的药效比单一的药效基团发挥的更好。

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synthesis of novel type als inhibitors based on pharmacophore model design

基于药效团模型设计合成新型ALS抑制剂

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Application of pharmacophore model in the design of new drug with CADD

药效基团模型及其在新药物分子设计中的应用

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a three-dimensional pharmacophore model of two types of her2 inhibitors was obtained by using the catalyst software.

通过CATALYST软件包得到了两类HER2抑制的三维药效团模型。

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using distance comparison method to build pharmacophore model of epidermal growth factor receptor inhibitors

距离比较法构建表皮生长因子受体抑制剂的药效团模型

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pharmacophore perception, development, and use in drug design

药物设计中的药效团的感知、开发与应用

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recent reviews in drug discovery today have concentrated on screening by docking and by pharmacophore searching.

最近的评论今天在药物发现都集中在筛选对接和药效搜索。

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constructing the pharmacophore models of tyrosinase inhibitors by disco method

距离比较法构建酪氨酸酶抑制剂的药效团模型

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This method is demonstrated by an example that sixteen virtual bio-active compounds were generated starting from HIV-1 protease inhibitors pharmacophore in this work. The results of conformation analysis showed that the pharmacophore is contained in the favorite conformers of the generated structure.

经过对HIV-1蛋白酶抑制剂药效团进行虚拟活性化合物生成，得到了16个虚拟活性化合物，通过构象分析发现生成的化合物满足药效团的限制条件。

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this is because once a pharmacophore is known, medicinal chemists can modify it to reduce toxicity while maintaining (or enhancing) potency.

这是因为一旦知道药效基因，药物化学家就可以修饰它，在保持药效的基础上减少毒性。

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