Joonyoung F. Joung
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View article: Electron flow matching for generative reaction mechanism prediction obeying conservation laws
Electron flow matching for generative reaction mechanism prediction obeying conservation laws Open
Central to our understanding of chemical reactivity is the principle of mass conservation, which is fundamental for ensuring physical consistency, balancing equations, and guiding reaction design. However, data-driven computational models …
View article: ASKCOS: an open source software suite for synthesis planning
ASKCOS: an open source software suite for synthesis planning Open
The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest ve…
View article: Generative Deep Learning-Based Efficient Design of Organic Molecules with Tailored Properties
Generative Deep Learning-Based Efficient Design of Organic Molecules with Tailored Properties Open
Innovative approaches to design molecules with tailored properties are required in various research areas. Deep learning methods can accelerate the discovery of new materials by leveraging molecular structure-property relationships. In thi…
View article: Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset
Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset Open
Mechanistic understanding of organic reactions can facilitate reaction development, impurity prediction, and in principle, reaction discovery. While several machine learning models have sought to address the task of predicting reaction pro…
View article: Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset
Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset Open
Mechanistic understanding of organic reactions can facilitate reaction development, impurity prediction, and in principle, reaction discovery. While several machine learning models have sought to address the task of predicting reaction pro…
View article: Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset Open
Mechanistic understanding of organic reactions can facilitate reaction development, impurity prediction, and in principle, reaction discovery. While several machine learning models have sought to address the task of predicting reaction pro…
View article: DB for chromophore
DB for chromophore Open
Optical properties of organic compounds in solvents. A dataset total 20,247 combinations of chromophores and solvents is presented. 7,018 unique choromophores in 366 solvents or solid state are available in a CSV format.Submitted to Scient…
View article: Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs
Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs Open
View article: Locoregional Recurrence Prediction Using a Deep Neural Network of Radiological and Radiotherapy Images
Locoregional Recurrence Prediction Using a Deep Neural Network of Radiological and Radiotherapy Images Open
Radiation therapy (RT) is an important and potentially curative modality for head and neck squamous cell carcinoma (HNSCC). Locoregional recurrence (LR) of HNSCC after RT is ranging from 15% to 50% depending on the primary site and stage. …
View article: Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design
Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design Open
Accurate and reliable prediction of the optical and photophysical properties of organic compounds is important in various research fields. Here, we developed deep learning (DL) optical spectroscopy using a DL model and experimental databas…
View article: Light-directed trapping of metastable intermediates in a self-assembly process
Light-directed trapping of metastable intermediates in a self-assembly process Open
View article: Experimental database of optical properties of organic compounds
Experimental database of optical properties of organic compounds Open
Experimental databases on the optical properties of organic chromophores are important for the implementation of data-driven chemistry using machine learning. Herein, we present a series of experimental data including various optical prope…
View article: CCDC 1581887: Experimental Crystal Structure Determination
CCDC 1581887: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Chemically resistant and thermally stable quantum dots prepared by shell encapsulation with cross-linkable block copolymer ligands
Chemically resistant and thermally stable quantum dots prepared by shell encapsulation with cross-linkable block copolymer ligands Open
Endowing quantum dots (QDs) with robustness and durability have been one of the most important issues in this field, since the major limitations of QDs in practical applications are their thermal and oxidative instabilities. In this work, …
View article: Light-directed trapping of metastable intermediates in a self- assembly process
Light-directed trapping of metastable intermediates in a self- assembly process Open
We introduce a method to efficiently capture metastable intermediates during self-assembly process based on the photopolymerization strategy of diacetylene. Using perylene diimide with dicaetylene, metastable intermediates including nanori…
View article: DB for chromophore
DB for chromophore Open
Optical properties of organic compounds in solvents. A dataset total 20,247 combinations of chromophores and solvents is presented. 7,018 unique choromophores in 366 solvents or solid state are available in a CSV format.Submitted to Scient…
View article: Penta-fluorophenol: a Smiles rearrangement-inspired cysteine-selective fluorescent probe for imaging of human glioblastoma
Penta-fluorophenol: a Smiles rearrangement-inspired cysteine-selective fluorescent probe for imaging of human glioblastoma Open
A fluorescent molecular probe for the identification of glioblastoma is developed. The probe allows the tracing of the cysteine (Cys) level, which is recognized as a new biomarker of GBM.
View article: CCDC 1849902: Experimental Crystal Structure Determination
CCDC 1849902: Experimental Crystal Structure Determination Open
View article: CCDC 1849904: Experimental Crystal Structure Determination
CCDC 1849904: Experimental Crystal Structure Determination Open
View article: Fluorescent Organic Glass with Unique Optical and Mechanical Properties
Fluorescent Organic Glass with Unique Optical and Mechanical Properties Open
Adv. Funct. Mater. 2018, 28, 1801394 In the initially published version of this article, the author affiliation was incorrectly presented. The corrected affiliation is given below: K. Ku, H. Park, M.-G. Kim, Prof. W. Kim Department of Mate…
View article: CCDC 1533262: Experimental Crystal Structure Determination
CCDC 1533262: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Organic Glass: Fluorescent Organic Glass with Unique Optical and Mechanical Properties (Adv. Funct. Mater. 39/2018)
Organic Glass: Fluorescent Organic Glass with Unique Optical and Mechanical Properties (Adv. Funct. Mater. 39/2018) Open
In article number 1801394, Woong Kim and co-workers report a fluorescent organic glass (FOG) having both well-defined property of molecular glasses and the high processability of polymer glasses. The FOG has outstanding optical properties …
View article: A naphthoimidazolium-cholesterol derivative as a ratiometric fluorescence based chemosensor for the chiral recognition of carboxylates
A naphthoimidazolium-cholesterol derivative as a ratiometric fluorescence based chemosensor for the chiral recognition of carboxylates Open
We report a naphthoimidazolium-cholesterol derivative (NI-chol 1) as a fluorescence based chemosensor for chiral recognition via imidazolium (C–H)+–anion binding.
View article: CCDC 1497284: Experimental Crystal Structure Determination
CCDC 1497284: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497282: Experimental Crystal Structure Determination
CCDC 1497282: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497285: Experimental Crystal Structure Determination
CCDC 1497285: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497283: Experimental Crystal Structure Determination
CCDC 1497283: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497281: Experimental Crystal Structure Determination
CCDC 1497281: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …