All of the data in AlkaPlorer were collected from the public sources and mannully checked, however, there are still inevitable mistakes such as the wrong structures or wrong anannotations. User who find any mistakes are welcome to give us a feedback by contact us page.
The webpage consists of six sections: the Molecular Interface, Scaffold Interface, Classification Interface, Biological Source Interface, Activity Interface, and Metabolism Page.
On this page, users can search for molecules by either drawing chemical structures or inputting SMILES notations. Three search modes are available: (a).Exact Search (precise match) (b).Substructure Search (structural fragment matching) (c).Similarity Search (molecular similarity comparison).
On this platform, users can predict molecular properties via RDKit by either drawing chemical structures or inputting SMILES notations. Additionally, we provide curated hyperlinks to specialized alkaloid analysis tools for natural product research.
Access real-time version details and downloadable datasets. For custom data inquiries, contact our support team.
AlkaPlorer is free for academic use. Re-distribution of the data, in whole or in part, requires a license. For questions regarding AlkaPlorer contents, licensing, or other support, please reach out to us by wurb3@mail.sysu.edu.cn
We kindly request users of AlkaPlorer to cite the following work:
Manuscript submitted (publication details will be updated upon acceptance).