Additional file 5 of DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach
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https://springernature.figshare.com/articles/dataset/Additional_file_5_of_DeepGraphMolGen_a_multi-objective_computational_strategy_for_generating_molecules_with_desirable_properties_a_graph_convolution_and_reinforcement_learning_approach/12922704/1
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资源简介：
Additional file 5. Molecules generated by Experiment 5 having QED > 0.8 and SA score > 0.8.
补充文件5。实验5生成的QED（定量药物相似性评分，Quantitative Estimation of Drug-likeness）大于0.8且SA score（合成可及性评分，Synthetic Accessibility score）大于0.8的分子。
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figshare
创建时间：
2020-09-05
