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	Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining 期刊论文 OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 4, 页码: 13 作者: Xiang, Wenkai; Zhong, Feisheng; Ni, Lin; Zheng, Mingyue; Li, Xutong \| 收藏 \| 浏览/下载：16/0 \| 提交时间：2024/09/26 gram matrix graph transformer molecular property prediction
	LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP 期刊论文 OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13 作者: Wang, Yitian; Xiong, Jiacheng; Xiao, Fu; Zhang, Wei; Cheng, Kaiyang \| 收藏 \| 浏览/下载：45/0 \| 提交时间：2023/10/17 logD7.4 Lipid solubility Graph neural network Molecular property prediction
	An explainable molecular property prediction via multi-granularity 期刊论文 OAI收割 INFORMATION SCIENCES, 2023, 卷号: 642, 页码: 17 作者: Sun, Haichao; Wang, Guoyin; Liu, Qun; Yang, Jie; Zheng, Mingyue \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2023/10/17 Multi-granularity Black-box Explainable model Molecular property prediction Quantitative characterization
	Methods of studies on quantitative structure-activity relationships for chiral compounds 期刊论文 OAI收割 journal of chemometrics, 2012, 卷号: 26, 期号: 10, 页码: 497-508 Zhang QY; Xu LZ; Li JY; Zhang DD; Long HL; Leng JY; Xu L 收藏 \| 浏览/下载：26/0 \| 提交时间：2013/04/22 STRUCTURE-ACTIVITY/PROPERTY RELATIONSHIPS TOPOLOGICAL INDEXES ABSOLUTE-CONFIGURATION MOLECULAR CHIRALITY ORGANIC-COMPOUNDS ENANTIOMERIC EXCESS MODEL BUILDERS NMR SOLVENTS GRAPH-THEORY PREDICTION