| ## 📊 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 |