过度拟合
适用范围
试验装置
灵敏度(控制系统)
数学
功能(生物学)
均方误差
线性回归
数量结构-活动关系
计算机科学
应用数学
算法
计算化学
机器学习
化学
统计
人工神经网络
电子工程
工程类
生物
进化生物学
作者
Zhixiang Zhang,Yiding Ma,Chao Chen,Sergey V. Bondarchuk,Yingzhe Liu
标识
DOI:10.1002/cphc.202400014
摘要
In this paper, we report the first example of impact sensitivity prediction based on the genetic function approximation (GFA) as a regression method. The prediction is applicable for a wide variety of chemical families, which include nitro compounds, peroxides, nitrogen-rich salts, heterocycles, etc. Within this work, we have obtained 7 empirical models (with 27-32 basis functions), which all provide 0.80≤R
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