ArticleChemistry (Weinheim an der Bergstrasse, Germany)2021
Quantitative Structure-Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy-Atom-Free BODIPY Photosensitizers*.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- BODIPY-based photosensitizers for cancer phototherapy: photophysical modulation, ROS-mediated cell death and phototheranostic applications.RSC advances · 2026Review
- Artificial Intelligence in Photodynamic Therapy: From Molecular Design of Photosensitizers to Intelligent Delivery, Adaptive Dosimetry, and Personalized Prognostication of Results.International journal of molecular sciences · 2026Review
- Mechanistic Study on Dual-Donor Modified Distyryl-BODIPY Photosensitizers.Materials (Basel, Switzerland) · 2026Article
- Charge-transfer dynamics in bowl-shaped imide-functionalized corannulenes at ensemble and single-molecule levels.Chemical science · 2026Article
- Artificial Intelligence and Natural Photosensitizer-Based Nanopharmaceuticals in Photodynamic Therapy: Advanced Modeling, Data-Driven Optimization, and Translational Perspectives.Pharmaceutics · 2026Review
- Intramolecular exciton coupling modulates the convergent singlet-triplet energy gap toward NIR-emissive heavy-atom-free Oligo-BODIPY photosensitizers.Chemical science · 2026Article
- A Closed-Loop Hybrid Discovery System of Type I Photosensitizers for Hypoxic Tumor Therapy.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Empowering photodynamic therapy with artificial intelligence: current trends and future directions.Frontiers in oncology · 2026Review
- Transfer learning from custom-tailored virtual molecular databases to real-world organic photosensitizers for catalytic activity prediction.Communications chemistry · 2025Article
- Synthesis and Optical Properties of Unsymmetric Aromatically π-Extended BODIPY.The Journal of organic chemistry · 2025Article
- Transfer learning across different photocatalytic organic reactions.Nature communications · 2025Article
- Electronic relaxation pathways in thio-acridone and thio-coumarin: two heavy-atom-free photosensitizers absorbing visible light.Physical chemistry chemical physics : PCCP · 2024Article
- Exploring the Influence of Ionic Liquid Anion Structure on Gas-Ionic Liquid Partition Coefficients of Organic Solutes Using Machine Learning.Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Lowering of the singlet-triplet energy gap via intramolecular exciton-exciton coupling.Nature communications · 2024Article
- Photodynamic Therapy in the Treatment of Cancer-The Selection of Synthetic Photosensitizers.Pharmaceuticals (Basel, Switzerland) · 2024Review
- Thieno[3,4-Chemical science · 2023Article
- Metal Coordination Effects on the Photophysics of Dipyrrinato Photosensitizers.Molecules (Basel, Switzerland) · 2022Review
- Quantitative Structure-Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy-Atom-Free BODIPY Photosensitizers*.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Heavy-atom-free sensitizers forming long-living triplet excited states via the spin-orbit charge transfer intersystem crossing (SOCT-ISC) process have recently attracted attention due to their potential to replace costly transition metal complexes in photonic applications. The efficiency of SOCT-ISC in BODIPY donor-acceptor dyads, so far the most thoroughly investigated class of such sensitizers, can be finely tuned by structural modification. However, predicting the triplet state yields and reactive oxygen species (ROS) generation quantum yields for such compounds in a particular solvent is still very challenging due to a lack of established quantitative structure-property relationship (QSPR) models. In this work, the available data on singlet oxygen generation quantum yields (Φ
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