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1046 积分 2023-03-08 加入
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Developing QSAR Models with Defined Applicability Domains on PPARγ Binding Affinity Using Large Data Sets and Machine Learning Algorithms
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Graph Attention Network Model with Defined Applicability Domains for Screening PBT Chemicals
1小时前
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Applicability Domains Based on Molecular Graph Contrastive Learning Enable Graph Attention Network Models to Accurately Predict 15 Environmental End Points
1小时前
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Machine Learning Model for Screening Thyroid Stimulating Hormone Receptor Agonists Based on Updated Datasets and Improved Applicability Domain Metrics
1小时前
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Integrated Transfer Learning and Multitask Learning Strategies to Construct Graph Neural Network Models for Predicting Bioaccumulation Parameters of Chemicals
1小时前
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Perspectives on Advancing Multimodal Learning in Environmental Science and Engineering Studies
1小时前
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Transfer Learning with a Graph Attention Network and Weighted Loss Function for Screening of Persistent, Bioaccumulative, Mobile, and Toxic Chemicals
1小时前
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Enlarged Data Sets and Innovative Applicability Domain Characterization Empower ML Models to Reliably Bridge hERG Binding Data Gaps in Diverse Chemicals
1小时前
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Machine Learning Models Based on Enlarged Chemical Spaces for Screening Carcinogenic Chemicals
1小时前
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Generative AI-Empowered Screening Strategy for Chemical Pollutants: A Case on Per- and Polyfluoroalkyl Substances
1小时前
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