ArticleChemical science2022
Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers.
Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed.
- Bioreactor-based production of eumelanin nanoparticles by Streptomyces glaucescens NEAE-H: physicochemical characterization, anticancer and anti-inflammatory activities, and in silico analysis.Scientific reports · 2026Article
- From melanogenesis to melanin technologies.Communications chemistry · 2025Review
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Authors and funding
3 authors.
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Abstract
Eumelanin is the biopolymer responsible for photoprotection in living beings and holds great promise as a smart biomaterial, but its detailed structure has not been characterized experimentally. Theoretical models are urgently needed to improve our knowledge of eumelanin's function and exploit its properties, but the enormous amount of possible oligomer components has made modelling not possible until now. Here we show that the stability and lowest vertical optical absorption of 5,6-dihydroxyindole (DHI) eumelanin dimer components can be modeled with deep neural networks, using fingerprint-like molecular representations as input. In spite of the modest data set size, average errors of only 6 and 9% for stability and S
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