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xiaoblue
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2023-11-27 加入
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Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis
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Minimizing late-stage failure in drug development with transformer models: Enhancing drug screening and pharmacokinetic predictions
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Transformer-based deep learning method for optimizing ADMET properties of lead compounds
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Large-scale chemical language representations capture molecular structure and properties
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Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning
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Large Language Models as Molecular Design Engines
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Can We Quickly Learn to “Translate” Bioactive Molecules with Transformer Models?
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Graph Neural Network and BERT Model for Antimalarial Drug Predictions Using Plasmodium Potential Targets
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GPCRSPACE: A New GPCR Real Expanded Library Based on Large Language Models Architecture and Positive Sample Machine Learning Strategies
1个月前
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Regression Transformer enables concurrent sequence regression and generation for molecular language modelling
1个月前
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