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"药物设计" 相关文章
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Symbolic Neural Generation with Applications to Lead Discovery in Drug Design
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Trustworthy Retrosynthesis: Eliminating Hallucinations with a Diverse Ensemble of Reaction Scorers
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MCCE: A Framework for Multi-LLM Collaborative Co-Evolution
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Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches
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NeurIPS 2025 | UniZyme:融合活性位点知识的统一蛋白酶切位点预测模型
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PhenoMoler: Phenotype-Guided Molecular Optimization via Chemistry Large Language Model
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Using generative AI, researchers design compounds that can kill drug-resistant bacteria
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AI 设计出两种新型抗生素:有望对抗耐药淋病与 MRSA 超级细菌
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研究人员利用生成式AI设计出可杀死耐药细菌的化合物
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Using generative AI, researchers design compounds that can kill drug-resistant bacteria
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Sparse Probabilistic Graph Circuits
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Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning
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ActivityDiff: A diffusion model with Positive and Negative Activity Guidance for De Novo Drug Design
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Learning Logical Rules using Minimum Message Length
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