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32 积分 2024-01-24 加入
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
1个月前
已完结
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
2个月前
已完结
Fungicidal SDH Inhibitors in Agriculture: Regulation and Future Perspectives
3个月前
已完结
Predictive modelling of pesticide properties for risk assessment: a curated dataset and QSAR evaluation for 110 active ingredients
3个月前
已完结
Application of the Intermediate Derivatization Approach in Agrochemical Discovery
3个月前
已完结
A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning
4个月前
已完结
Deciphering RNA–ligand binding specificity with GerNA-Bind
5个月前
已完结
Sample-efficient generative molecular design using memory manipulation
5个月前
已完结
Generative AI for designing and validating easily synthesizable and structurally novel antibiotics
5个月前
已完结
Neural multi-task learning in drug design
5个月前
已完结
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