Database used in : "Combining Machine Learning and Quantum Mechanics Yields More Chemically-Aware Molecular Descriptors for Medicinal Chemistry Applications"

Database used in : "Combining Machine Learning and Quantum Mechanics Yields More Chemically-Aware Molecular Descriptors for Medicinal Chemistry Applications". Smiles and Molecule names本数据集应用于论文《结合机器学习与量子力学，构建面向药物化学应用的高化学感知性分子描述符》，包含简化分子线性输入规范（SMILES）与分子名称。