ArticleJournal of computer-aided molecular design2026
A linear models approach to optimize carbazole-based dyes for solar cell applications.
Article in Journal of computer-aided molecular design, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The excellent characteristics of carbazole-based dyes have resulted in DSSCs with power conversion efficiencies (PCEs) that are among the highest for metal-free dyes. However, the rational modification of these structures remains a challenge. In this work, 126 carbazole-based dyes were used in the development of models to predict the efficiency of DSSCs and to describe the relation between dye structure and cell efficiency. Using variable selection techniques (genetic algorithm and best subsets) on a pool of 2393 molecular descriptors (2D, 3D, quantum, and spectroscopic), three multiple linear regression models were obtained that satisfied well-established validation criteria (e.g., R
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