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Multimodal data fusion for supervised learning-based identification of USP7 inhibitors: a systematic comparison
Author: Shen, Wen-feng; Tang, He-wei; Li, Jia-bo; Li, Xiang; Chen, Si
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-022-00675-8
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SESNet: sequence-structure feature-integrated deep learning method for data-efficient protein engineering
Author: Li, Mingchen; Kang, Liqi; Xiong, Yi; Wang, Yu Guang; Fan, Guisheng; Tan, Pan; Hong, Liang
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00688-x
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Force field-inspired molecular representation learning for property prediction
Author: Ren, Gao-Peng; Yin, Yi-Jian; Wu, Ke-Jun; He, Yuchen
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00691-2
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DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
Author: Liu, Xuhan; Ye, Kai; van Vlijmen, Herman W. T.; IJzerman, Adriaan P.; van Westen, Gerard J. P.
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00694-z
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Double-head transformer neural network for molecular property prediction
Author: Song, Yuanbing; Chen, Jinghua; Wang, Wenju; Chen, Gang; Ma, Zhichong
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00700-4
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DFFNDDS: prediction of synergistic drug combinations with dual feature fusion networks
Author: Xu, Mengdie; Zhao, Xinwei; Wang, Jingyu; Feng, Wei; Wen, Naifeng; Wang, Chunyu; Wang, Junjie; Liu, Yun; Zhao, Lingling
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00690-3
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Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
Author: Lou, Chaofeng; Yang, Hongbin; Deng, Hua; Huang, Mengting; Li, Weihua; Liu, Guixia; Lee, Philip W.; Tang, Yun
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00707-x
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Deep generative model for drug design from protein target sequence
Author: Chen, Yangyang; Wang, Zixu; Wang, Lei; Wang, Jianmin; Li, Pengyong; Cao, Dongsheng; Zeng, Xiangxiang; Ye, Xiucai; Sakurai, Tetsuya
Journal: JOURNAL OF CHEMINFORMATICS. 2023; Vol. 15, Issue 1, pp. -. DOI: 10.1186/s13321-023-00702-2