Papers citing Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

1. Beyond Black-Box Models: A Physics-Driven Computational Paradigm for Low-Temperature Flexible Organic Crystals

   The Journal of Physical Chemistry Letters · 2026-07-13

   Rui Shi, Xiaomin Yang, Hongyu Zhang, Zhong‐Yuan Lu

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2. Linear Residual Network Modeling for Anti-HIV-1 Activity Prediction and Docking-Validated Design of Biphenyl-DAPY-Based NNRTIs

   Molecules · 2026-07-23

   H Y Wang, Yu Zhang, An Wang, Peijian Zhang

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3. Bigger Molecules Enter Smaller Channels of Zeolites via Inward-Coil-Alike Adaptation

   Journal of the American Chemical Society · 2026-07-27

   Yuli Liu, Yifan Ge, Mingbin Gao, Ming-Hui Sun, Lihua Chen, Bao‐Lian Su, Mao Ye, Zhongmin Liu

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4. Adaptive Data Splitting Strategy to Enhance Knowledge Learning for Phosphorescence Lifetime Prediction

   Journal of Chemical Information and Modeling · 2026-09-07

   Jingxuan Shi, Shangming Li, Yuhang Tang, Jiachi Yang, Yanzhi Guo, Songran Yang, Xuemei Pu

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5. Interpretable reaction-aware graph learning for rapid screening of liquid organic hydrogen carriers

   Computational and Theoretical Chemistry · 2026-09-19

   Mehedi Hassan Maruf, Wahid Billah, M.A. SHADAB SIDDIQUI, Mostafizur Rahman, Mohammed Nasiruzzaman Shaikh

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