Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra
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January 2019
An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes
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November 2012
Kinetics and mechanism of reaction of acridine orange with bromateion at low pH
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March 1995
1-Anilino-8-naphthalenesulfonate: A fluorescent probe of membrane surface structure, composition and mobility
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December 1974
Excited state properties of chlorophyll f in organic solvents at ambient and cryogenic temperatures
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February 2014
Absorption studies of acid-base equilibria of dye solutions
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December 1972
The use of fluorescent probes for the study of membranes
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January 1974
Determination of accurate extinction coefficients and simultaneous equations for assaying chlorophylls a and b extracted with four different solvents: verification of the concentration of chlorophyll standards by atomic absorption spectroscopy
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August 1989
The interaction of a naphthalene dye with apomyoglobin and apohemoglobin
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September 1965
Energy transfer from thiacyanine to acridine orange facilitated by DNA
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August 1999
Extinction coefficient for red-shifted chlorophylls: Chlorophyll d and chlorophyll f
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August 2012
Evaluation of delocalized lipophilic cationic dyes as delivery vehicles for photosensitizers to mitochondria
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September 2009
Oxyphor 2P: A High-Performance Probe for Deep-Tissue Longitudinal Oxygen Imaging
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March 2019
A comparison of classifiers for predicting the class color of fluorescent proteins
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December 2019
Zero-shot information extraction from radiological reports using ChatGPT
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March 2024
Comprehensive review of photophysical parameters (ε, Φf, τs) of tetraphenylporphyrin (H2TPP) and zinc tetraphenylporphyrin (ZnTPP) – Critical benchmark molecules in photochemistry and photosynthesis
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March 2021
Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties
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September 2022
Absorption and fluorescence spectra of open-chain tetrapyrrole pigments–bilirubins, biliverdins, phycobilins, and synthetic analogues
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June 2023
Can machine learning methods accurately predict the molar absorption coefficient of different classes of dyes?
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October 2022
Challenges in Information-Mining the Materials Literature: A Case Study and Perspective
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May 2022
Prediction of Molecular Electronic Transitions Using Random Forests
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October 2020
Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields
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February 2021
Beyond Woodward–Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy
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April 2022
Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties
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February 2023
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry
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May 2017
Heuristics from Modeling of Spectral Overlap in Förster Resonance Energy Transfer (FRET)
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November 2018
Graph Neural Networks for Learning Molecular Excitation Spectra
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June 2022
Digital Database of Absorption Spectra of Diverse Flavonoids Enables Structural Comparisons and Quantitative Evaluations
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February 2023
Synthesis and Spectral Properties of 8-Anilinonaphthalene-1-sulfonic Acid (ANS) Derivatives Prepared by Microwave-Assisted Copper(0)-Catalyzed Ullmann Reaction
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October 2019
Encapsulation of Various Guests by an Anionic In-Metal–Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal–Organic Framework
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September 2014
Zero-Overlap Fluorophores for Fluorescent Studies at Any Concentration
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June 2020
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
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August 2023
Long Excited-State Lifetimes in Three-Coordinate Copper(I) Complexes via Triplet–Triplet Energy Transfer to Pyrene-Decorated Isocyanides
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July 2024
Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design
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March 2021
Acridine orange association equilibrium in aqueous solution
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January 1984
Extracting accurate materials data from research papers with conversational language models and prompt engineering
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February 2024
Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs
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July 2022
Comparative dataset of experimental and computational attributes of UV/vis absorption spectra
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December 2019
Experimental database of optical properties of organic compounds
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September 2020
Empirical assessment of ChatGPT’s answering capabilities in natural science and engineering
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February 2024
Aqueous–membrane partitioning of β-substituted porphyrins encompassing diverse polarity
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January 2013
Enhancement of aqueous stability and fluorescence brightness of indocyanine green using small calix[4]arene micelles for near-infrared fluorescence imaging
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January 2016
Predicting the emission wavelength of organic molecules using a combinatorial QSAR and machine learning approach
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January 2020
Tolyporphins A–R, unusual tetrapyrrole macrocycles in a cyanobacterium from Micronesia, assessed quantitatively from the culture HT-58-2
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January 2021
Multi-fidelity prediction of molecular optical peaks with deep learning
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January 2022
Deep-blue high-efficiency triplet–triplet annihilation organic light-emitting diodes using hydroxyl-substituted tetraphenylimidazole-functionalized anthracene fluorescent emitters
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January 2022
Fine-tuning large language models for chemical text mining
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January 2024
Picosecond electronic energy-transfer studies in sodium dodecyl sulfate micelles
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January 1992
Domain-specific chatbots for science using embeddings
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October 2023
Image and data mining in reticular chemistry powered by GPT-4V
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January 2024
Flexible, model-agnostic method for materials data extraction from text using general purpose language models
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January 2024
Phyllobilins – Bioactive Natural Products Derived from Chlorophyll – Plant Origins, Structures, Absorption Spectra, and Biomedical Properties
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December 2022
The Absolute Quantum Yields of the Fluorescence of Chlorophyll Solutions
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August 1952
Spectral Resemblances of Cata‐Condensed Hydrocarbons
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May 1949
Electronic spectra from TDDFT and machine learning in chemical space
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August 2015
Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space
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October 2020
The fluorescence quantum yield parameter in Förster resonance energy transfer (FRET)—Meaning, misperception, and molecular design
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March 2021
Machine learning of molecular electronic properties in chemical compound space
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September 2013
The ultra-violet absorption spectra of some complex aromatic hydrocarbons-I
Mayneord, William Valentine; Roe, Edna, M. F.
Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, Vol. 152, Issue 876
https://doi.org/10.1098/rspa.1935.0193
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November 1935
PhotochemCAD: A Computer-Aided Design and Research Tool in Photochemistry
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August 1998
PhotochemCAD 2: A Refined Program with Accompanying Spectral Databases for Photochemical Calculations¶
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January 2005
Database of Absorption and Fluorescence Spectra of >300 Common Compounds for use in PhotochemCAD
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February 2018
PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases
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February 2018
Absorption and Fluorescence Spectral Database of Chlorophylls and Analogues
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November 2020
Performance of chatbots in queries concerning fundamental concepts in photochemistry
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November 2024
Red and near-infrared fluorophores inspired by chlorophylls: consideration of practical brightness in multicolor flow cytometry and biomedical sciences
Liu, Rui; Hu, Gongfang; Taniguchi, Masahiko
Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications X
https://doi.org/10.1117/12.2302709
conference
February 2018
Developing a user community in the photosciences: a website for spectral data and PhotochemCAD
conference
March 2019
Absorption and fluorescence spectra of organic compounds from 40 sources – archives, repositories, databases, and literature search engines
Taniguchi, Masahiko; Lindsey, Jonathan S.
Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XII
https://doi.org/10.1117/12.2542859
conference
March 2020
PhotochemCAD spectra viewer for web-based visualization of absorption and fluorescence spectra
Wu, Zhiyuan; Kittinger, Allison; Norcross, Ann E.
Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIII
https://doi.org/10.1117/12.2577840
conference
March 2021
Digitization of print-based absorption and fluorescence spectra – extracting clarity from clutter
Taniguchi, Masahiko; Wu, Zhiyuan; Sterling, Caitlin
Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIV
https://doi.org/10.1117/12.2651694
conference
March 2023
Light-scattering in absorption spectra: a literature survey of examples and corrections
conference
March 2024
A metal-free blue chromophore derived from plant pigments
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April 2020
Regularities of the photodestruction of acridine dyes in aqueous media
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February 2006
ChatGPT is a Remarkable Tool—For Experts
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February 2024
Note on the Polymerization of Dyes in Solution
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April 1957
Determination of the fluorescence quantum yield by oceanic phytoplankton in their natural habitat
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January 2000
Fluorescence Quantum Yields and Their Relation to Lifetimes of Rhodamine 6G and Fluorescein in Nine Solvents: Improved Absolute Standards for Quantum Yields¶
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April 2002
ChatIE: Zero-Shot Information Extraction via Chatting with ChatGPT
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January 2023
What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks
preprint
January 2023