相关数据集
3D MolSim
This API provides interactive chemoinformatics of all chemical elements and compounds in 2D, and 3D based on Rdkit, Cirpy, and numpy libraries.
RapidAPI2022-07-27 更新150
Reaction SMILES CRD 1.37M dataset
Collection of reaction SMILES (reactants, reagents, solvents, products) 1.37M lines total from patent literature (USPTO 1976 - 2024) and from academic literature (2.5% total). Data converted from
Figshare2025-01-17 更新70
Substance 865523: MLS000080649
Chemical substance data from PubChem database. This dataset contains comprehensive chemical information including structural data, physical properties, and biological...
data.gov10
Tetrakis(4-ethynylphenyl)methane
This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descri
DataCite Commons2023-05-09 更新70
A Cheminformatic analysis of Secondary Metabolites in Jordanian Medicinal Plants and Their Potential Therapeutic Applications.
Jordan harbors a rich diversity of medicinal plants with a long history of ethnopharmacological use. However, comprehensive cheminformatic analyses of their secondary metabolites remain limited. We ai
Zenodo2025-05-21 更新30



