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Updated: Jan 24, 2026

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model
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通过预测实验性IR峰值来探索有机化合物的结构基础:一种机器学习分析

Sadaf Noreen1, Mamduh J Aljaafreh2, Ashour M Ahmed2

  • 1Department of Chemistry, University of Gujrat, Gujrat, 50700, Punjab, Pakistan.

Journal of molecular graphics & modelling
|January 22, 2026
PubMed
概括

这项研究使用机器学习来预测有机化合物的红外 (IR) 频谱峰值. 分数CSP3描述器被证明是最有效的,额外树回归实现了高精度 (R2 0.72-0.78).

关键词:
碳基组是碳基的组成部分.实验性IRIR是一种实验性的IR.机器学习 机器学习分子描述器 分子描述器

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