Pickaxe-generated SMILES extending the reference Natural Product classifier SMILES

Pickaxe augmented SMILES dataset plus first keras model trained with it, plus the class, pathway and superclass names to ensure the correct interpretation of the model predictions.本数据集涵盖经Pickaxe扩增的简化分子线性输入规范（Simplified Molecular-Input Line-Entry System, SMILES）数据集、首个基于该数据集训练的Keras模型，以及用于保障模型预测结果准确解读的类别、通路与超类名称。