# Third-Party Notices

This project includes data and code derived from the following sources.

## ChemScanner (data source)

The files `chemscanner_abbreviations.json` and `superatom_data.json` contain
chemical abbreviation-to-SMILES mappings derived from data files in the
[ChemScanner](https://github.com/ComPlat/chem_scanner) project, which is
licensed under AGPL-3.0.

The original data was extracted from ChemScanner's `abbreviations.yaml`,
`solvents.yaml`, and `superatom.txt` configuration files. The extraction
process involved:
- Parsing the original YAML/TXT files
- Validating all SMILES strings with RDKit
- Canonicalizing SMILES to a standard form
- Deduplicating entries by canonical SMILES
- Reorganizing into a different JSON schema with alias support

The resulting JSON files contain factual chemical information (abbreviation
labels mapped to their corresponding SMILES representations). Chemical
abbreviation-to-structure mappings are scientific facts — "OTs" represents
a tosylate group regardless of the source from which it is documented.

## RDKit Built-in Abbreviations (runtime data source)

At runtime, `superatom_table.py` supplements its JSON-backed lookup table
with abbreviation data from RDKit's `rdAbbreviations.GetDefaultAbbreviations()`
(approximately 40 entries). RDKit is licensed under the
[BSD 3-Clause License](https://github.com/rdkit/rdkit/blob/master/license.txt).

## Reagent Database

The file `reagent_abbreviations.json` is an original curated database of
approximately 172 reagent entries commonly used in medicinal chemistry,
compiled by the project author. It is licensed under MIT as part of this project.
