药效团
虚拟筛选
计算机科学
比例(比率)
人工智能
计算生物学
机器学习
化学
生物
立体化学
地理
地图学
作者
Seonghwan Seo,Woo Youn Kim
摘要
PharmacoNet is developed for virtual screening, including deep learning-guided protein-based pharmacophore modeling, a parameterized analytical scoring function, and coarse-grained pose alignment. It is extremely fast yet reasonably accurate.
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