Kiran

Monte Carlo-based SMILES-driven QSPR modeling of Organic Chromophores across the visible-to- NIR spectral range.

Developing organic chromophores with tailored optical properties is a key objective in material chemistry. In the present study, a dataset of 130 organic chromophores was used to build QSPR models for absorption and emission maxima using CORAL. The models were generated using SMILES derived descriptors optimised throug...