广告
药物发现
亲脂性
代谢稳定性
药品
仿形(计算机编程)
计算生物学
医学
药理学
化学
计算机科学
生化工程
体外
生物
工程类
生物化学
操作系统
标识
DOI:10.1016/s1359-6446(03)02649-7
摘要
Drug discovery research organizations are building capability for measuring an ensemble of crucial 'drug-like' properties. These structure-property relationship (SPR) data complement current SAR information. This pharmaceutical profiling strategy enables research teams to better plan and interpret discovery experiments, be alerted to potential 'show stoppers', improve property liabilities, and select the best candidates for advancement. High throughput property assays for physicochemical properties--solubility, permeability, lipophilicity, stability, and pK(a)--in vitro ADME--metabolism, transporters, protein binding and CYP inhibition--and in vivo PK/exposure provide a wealth of data for teams to make informed decisions.
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