CN113241128B - 基于分子空间位置编码注意力神经网络模型的分子性质预测方法 - Google Patents
基于分子空间位置编码注意力神经网络模型的分子性质预测方法 Download PDFInfo
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CN113707236B (zh) * | 2021-08-30 | 2024-05-14 | 平安科技(深圳)有限公司 | 基于图神经网络的药物小分子性质预测方法、装置及设备 |
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WO2023065220A1 (zh) * | 2021-10-21 | 2023-04-27 | 深圳阿尔法分子科技有限责任公司 | 一种基于深度学习的化学分子相关水溶性预测方法 |
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CN116825234B (zh) * | 2023-08-30 | 2023-11-07 | 江西农业大学 | 一种多模态信息融合的药物分子活性预测方法及电子设备 |
CN117524353B (zh) * | 2023-11-23 | 2024-05-10 | 大连理工大学 | 一种基于多维度分子信息的分子大模型、构建方法及应用 |
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