Lv51
910 积分 2025-09-29 加入
Innovative Design and Assessment of Dual‐targeted c‐Met/PARP1 Inhibitors Using Pyridine‐2‐amine Bioisosteres: Scaffold Hopping, Machine Learning, Molecular Docking, Molecular Dynamics, and ADME/T Analysis
2小时前
待确认
Integration of transcriptomics and metabolomics to reveal crizotinib-induced liver injury in mice
2小时前
已完结
A pre-trained multi-representation fusion network for molecular property prediction
2个月前
已完结
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
2个月前
已完结
A Gentle Introduction to Graph Neural Networks
2个月前
已完结
Curvature-augmented graph neural networks for molecular representation learning
2个月前
已关闭
Ligand-based graph neural network, molecular dynamics and biological evaluation for identification of potential FGFR1 kinase inhibitors
2个月前
已完结
Nonlinear fractional hemodynamic modeling of trihybrid Jeffrey nanofluid in stenosed arteries with artificial neural networks and K-fold cross-validation
3个月前
已关闭
Pre‐training strategy for antiviral drug screening with low‐data graph neural network: A case study in HIV‐1 K103N reverse transcriptase
4个月前
已完结
Computational investigation of hepatocyte growth factor receptor-ligand interactions for the identification of novel therapeutic inhibitors
5个月前
已完结
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