A molecular atlas with traceable origins

What the atlas covers

StructureMoa is an independent molecular-structure exploration project. 39 families and 169 sourced catalog entries cover oncology, CNS and drug chemistry.

Identity before analysis

For public entries, an exact-name PubChem synonym match is followed by an independent CID property lookup. SMILES and InChIKey are stored with source URL and check date. We validate parseability in RDKit. This establishes a sourced molecular identity; it does not verify approval or efficacy.

What we exclude

Internal mock molecules, unsupported analogs and parent-inherited structures do not enter the public atlas or its search index. Unresolved entries are withheld rather than filled with a nearby molecule. A withheld entry is not necessarily fictitious: a genuine biologic may lack an independently assigned small-molecule structure.

Editorial and calculation roles

Family membership is editorial grouping. Graph edges show Morgan radius-2, 2048-bit Tanimoto calculations on independently sourced structures; they do not claim synthesis history, potency or clinical performance. Original reading notes are published with sources and a review date. Detailed entries enter the search index only with independent structure identity and reviewed editorial context.

Review and corrections

StructureMoa editorial review · structure-source check: 2026-10-08. Public updates are reviewed before deployment; visiting the site does not start data collection or paid AI generation.

For corrections, include the molecule name, CID or source link and the field in question. [email protected]

Responsibility and disclosed experience

The project publishes structure records and reproducible calculations for educational exploration. No individual professional credentials or external specialist endorsement are currently disclosed. Automated checks and AI-assisted editing do not replace an independent scientific review. Contact the project through the address above for source or calculation questions.

How a correction is handled

1. Identify the page, source record and disputed field.
2. Compare the original structure and calculation settings; leave unresolved claims unverified.
3. Recalculate affected comparisons and update the relevant explanation and modification date. Source-check dates remain separate.

We do not promise an individual response time or treat a correction request as a completed review.