Evaluating the density of organic compounds at variable temperatures by a norm descriptor-based QSPR model
Yueji Wang, Yu Gu, Qiaoyan Shang, Qingzhu Jia, Qiang Wang, Yin‐Ning Zhou, Fangyou Yan · Molecular Systems Design & Engineering · 2025
A robust QSPR model using norm indices is developed by MLR method to predict the density of organic compounds across a wide temperature range. Strict validation identifies extrapolation boundaries of the descriptors and ensures prediction accuracy.