Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning

Abstract Effective light-based cancer treatments, such as photodynamic therapy (PDT) and photoactivated chemotherapy (PACT), rely on compounds that are activated by light efficiently, and absorb within the therapeutic window (600–850 nm). Traditional prediction methods for these light absorption pro...

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Bibliographic Details
Main Authors: V. Vigna, T. F. G. G. Cova, A. A. C. C. Pais, E. Sicilia
Format: Article
Language:English
Published: BMC 2025-01-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-024-00939-5
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