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30 积分 2025-07-18 加入
Decoding hexanitrobenzene (HNB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as two distinctive energetic nitrobenzene compounds by machine learning
2个月前
已完结
De novo multi-objective generation framework for energetic materials with trading off energy and stability
3个月前
已完结
QSPR models for sublimation enthalpy of energetic compounds
4个月前
已完结
A Traffic Accident Prediction Model Based on Spatio-Temporal Depth Map and Transformer
4个月前
已完结
3D molecular generation models expand chemical space exploration in drug design
6个月前
已完结
Chemical Reaction Mechanisms and Models of Energetic Materials: A Perspective
6个月前
已完结
Screening heat-resistant energetic molecules via deep learning and high-throughput computation
7个月前
已完结
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers
7个月前
已完结
Exploring an accurate machine learning model to quickly estimate stability of diverse energetic materials
7个月前
已完结
Gaussian Process Approach to Constructing Transferable Force Fields for Thiolate-Protected Gold Nanoclusters
8个月前
已完结
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