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78 积分 2025-12-10 加入
GLAM: An adaptive graph learning method for automated molecular interactions and properties predictions
2个月前
已完结
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
2个月前
已完结
Design, synthesis and biological evaluation of pyrazolylaminoquinazoline derivatives as highly potent pan-fibroblast growth factor receptor inhibitors
3个月前
已关闭
Continuous collective analysis of chemical reactions
4个月前
已完结
Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs
5个月前
已完结
Electron-density informed effective and reliablede novomolecular design and lead optimization with ED2Mol
5个月前
已完结
Leveraging language model for advanced multiproperty molecular optimization via prompt engineering
5个月前
已完结
A novel twin extreme learning machine for regression problems
2个月前
已采纳
High-order time stepping scheme based on convolution quadrature and its analysis for the time fractional Cattaneo equation with singular source terms and nonsmooth data
2个月前
已采纳
GROMOS-RONS: A Force Field for Simulations of Reactive Oxygen and Nitrogen Species
4个月前
已采纳