## 📊 AMAX Column Descriptors

Each data entry in the AMAX dataset is comprised of 4 columns. Examples and descriptions are detailed below.

| Column Index | Column Descriptor | Example | Data Type | Description |
|--------------|-------------------|---------|-----------|-------------|
| 0 | compound | c1ccc2cc3ccccc3cc2c1 | ```str``` | The compound in question, represented as a SMILES string. |
| 1 | solvent | C1CCCCC1 | ```str``` | The solvent the compound is dissolved in, represented as a SMILES string. |
| 2 | lambda_max | 356.0 | ```float``` | The absorption maxima of the compound-solvent combination in nm. |
| 3 | source | uvvisml | ```str``` | The source the data was extracted from. |

## 📋 Data Sources Used

[FluoDB](https://doi.org/10.1038/s41467-025-58881-5) (fluodb): A Modular Artificial Intelligence Framework to Facilitate Fluorophore Design

- 31,351 compound-solvent combinations
- 16,752 unique compounds
- 71 unique solvents

[UVVisML](https://doi.org/10.1039/d1sc05677h) (uvvisml): Multi-Fidelity Prediction of Molecular Optical Peaks with Deep Learning

- 26,820 compound-solvent combinations
- 13,349 unique compounds
- 359 unique solvents and matrices

[SMFluo1](https://pubs.acs.org/doi/full/10.1021/acs.jcim.1c01449) (smfluo1): Prediction of Maximum Absorption Wavelength using Deep Neural Networks

- 1,181 compound-solvent combinations
- 859 unique compounds
- 29 unique solvents

[ChemDataExtractor](https://doi.org/10.1038/s41597-019-0306-0) (chemde): Comparative Dataset of Experimental and Computational Attributes of UV/Vis Absorption Spectra

- 1,598 compound-solvent combinations
- 1,590 unique compounds
- 28 unique solvents

[Photoswitch](https://chemrxiv.org/engage/chemrxiv/article-details/6710bbb912ff75c3a1ac8975) (photoswitch): Towards Data-Driven Design of Visible-Light Photoswitches using Structural Features

- 566 compound-solvent combinations
- 565 unique compounds
- 6 unique solvents

[LDIDB](https://doi.org/10.4236/ajac.2012.312104) (schiff): Acylhydrazide and Isatin Schiff Bases as Alternate UV-Laser Desorption Ionization (LDI) Matrices for Low Molecular Weight (LMW) Peptides Analysis

- 29 compound-solvent combinations
- 29 unique compounds
- 2 unique solvents

[PubChem](https://pubchem.ncbi.nlm.nih.gov) (pubchem)

- Data extracted from individual compound searches
- 52 compound-solvent combinations
- 10 unique solvents