天然产物是药物先导化合物的重要来源。
Natural products are one of the most important sources of the lead compounds in drug discovery.
意义该项目将发现有前途的药物先导化合物，阻断黄病毒家族的病毒复制。
This project will discover promising drug leads that stop the replication of viruses within the Flaviviridae family.
当代药物设计是通过阐明药物与靶标相互作用的机理，对药物先导化合物进行改造和优化。
Drug design is based on the mechanisms of the drug and target interaction to achieve optimization of the leads.
在1981～2002年间批准上市的1 031种药物中，有48％的药物来源于天然产物或与天然的先导结构有关，其中5％的药物为天然化合物的直接应用。
Of the 1 031 new chemical entities covering all diseases in the years 1981-2002, 48% were natural product mimics, 5% were the direct ultility of natural products as sources of novel structures.
本文用支持矢量学习机和神经网络两种机器学习方法建立选择性环氧化酶-2抑制剂的活性预测模型，以期为选择性环氧化酶-2抑制剂药物的合成提供先导化合物。
Machine learning methods, including Support Vector Machines and Artificial Neural Network, are applied to the development of the classification models for the selective COX-2 inhibitors in this paper.
本发明可为研制新的抗肿瘤药物提供先导化合物，可望成为治疗癌症的药物。
The invention can provide lead compounds for the development of new anti-cancer drugs and is expected to become the drugs for cancer treatment.
该文综述了这一领域的主要进展及其在药物研究与开发（如先导化合物的发现和新型诊断与治疗方法的设计）中的应用。
Progress in the field is briefly reviewed and possible application of evolutionary chemistry in drug research and development such as discovery of lead compounds and des…
开发出一批具有新颖结构的黄酮类药物的先导化合物。
This paper systematically summarize current researches in the SAR studies of flavonoids and their derivatives, which can serve as a reference for synthesizing new flavonoid derivatives.
开发出一批具有新颖结构的黄酮类药物的先导化合物。
This paper systematically summarize current researches in the SAR studies of flavonoids and their derivatives, which can serve as a reference for synthesizing new flavonoid derivatives.
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