药物发现
计算机科学
虚拟筛选
过程(计算)
药效团
数据科学
业务流程发现
在制品
工程类
生物信息学
生物
运营管理
业务流程
操作系统
业务流程建模
作者
Vivek P. Chavda,Yogita Thalkari,Swati Marwadi
标识
DOI:10.1002/9781119654803.ch2
摘要
The procedure involved in drug discovery is intricate, tedious, and cost incurring and requires multi-disciplinary expertize and inventive methodologies. Computational drug discovery process is a successful technique for quickening and streamlining drug disclosure and improvement process. Due to substantial increment in the accessibility of natural macromolecule and little atom data, the materialness of computational drug discovery has been stretched out and comprehensively applied to about each phase of the drug discovery and further advancement work process, including objective recognizable proof and approval, lead revelation and improvement, and preclinical tests. Over the previous decades, computational medication disclosure strategies, for example, atomic docking, pharmacophore displaying and mapping, again plan, sub-atomic likeness figuring, and succession-based virtual screening, have been extraordinarily improved. In this section, we present a review of these significant computational strategies, stages, and effective applications in this field.
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