ChEBI|化学实体数据集|生物学数据集

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of 'small molecular entities'. The term 'molecular entity' encompasses any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. The molecular entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms (either deliberately, as for drugs, or unintentionally', as for chemicals in the environment). The qualifier 'small' implies the exclusion of entities directly encoded by the genome, and thus as a rule nucleic acids, proteins and peptides derived from proteins by cleavage are not included.

化学生物感兴趣实体（ChEBI）是一部免费可用的‘小分子实体’词典。‘分子实体’一词涵盖了任何结构上或同位素上独特的原子、分子、离子、离子对、自由基、自由基离子、复合物、构象等，可被识别为独立可区分的实体。所讨论的分子实体要么是自然产物，要么是用于干预生物体过程（无论是故意，如药物，还是无意中，如环境中的化学品）的合成产物。‘小’这一限定词意味着排除了直接由基因组编码的实体，因此通常不包括核苷酸、蛋白质以及通过切割从蛋白质中衍生的肽。