molssiai-hub/pubchem-07-23-2024

PubChem数据集是一个包含化学信息的开放数据库，由美国国立卫生研究院（NIH）提供。数据集包含小分子、核苷酸、碳水化合物、脂质、肽和化学修饰的大分子等化学结构、标识符、化学和物理性质、生物活性、专利、健康、安全、毒性和其他相关信息。数据集适用于化学信息学任务，可用于药物发现和材料科学等研究领域。

The PubChem dataset is an open chemistry database that includes chemical structures, identifiers, chemical and physical properties, biological activities, patents, health, safety, toxicity data, and more. It covers small molecules, nucleotides, carbohydrates, lipids, peptides, and chemically-modified macromolecules. The dataset is derived from the PubChem database at the National Institutes of Health (NIH) and is available under the Free Public Domain License. It is suitable for cheminformatics tasks and can be used for research in drug discovery and materials science.