Research graph
References from Data‐Driven Prediction of Ultraviolet–Visible Spectra From Molecular Structure Using Attention‐Based Graph Neural Networks. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
2004 · External reference
Experimental Methods in Chemical Engineering: Ultraviolet Visible Spectroscopy—UV‐Vis
10.1002/cjce.23344 · 2018 · External reference
In situ IR, NMR, EPR, and UV/Vis Spectroscopy: Tools for New Insight into the Mechanisms of Heterogeneous Catalysis
10.1002/1521-3773(20010817)40:16<2954::aid-anie2954>3.0.co;2-# · 2001 · External reference
Experimental and Theoretical (FT‐IR, FT‐Raman, UV–vis, NMR) Spectroscopic Analysis and First Order Hyperpolarizability Studies of Non‐Linear Optical Material:(2E)‐3‐[4‐(methylsulfanyl) phenyl]‐1‐(4‐nitrophenyl) Prop‐2‐en‐1‐one Using Density Functional Theory
10.1016/j.saa.2014.03.072 · 2014 · External reference
Development of New UV–Vis Spectroscopic Microwave‐Assisted Method for Determination of Glucose in Pharmaceutical Samples
10.1016/j.saa.2015.08.035 · 2016 · External reference
Assessment of organic pollution of an industrial river by synchronous fluorescence and UV–vis spectroscopy: the Fensch River (NE France)
10.1007/s10661-017-5933-3 · 2017 · External reference
10.1016/j.radphyschem.2019.01.012
10.1016/j.radphyschem.2019.01.012 · External reference
10.1016/j.ceramint.2014.08.125
10.1016/j.ceramint.2014.08.125 · External reference
Unresolved reference
2007 · External reference
10.1021/cr300314q
10.1021/cr300314q · External reference
10.1007/s00894‐012‐1602‐1
10.1007/s00894‐012‐1602‐1 · External reference
10.1021/acsomega.8b03500
10.1021/acsomega.8b03500 · External reference
10.1007/s00214‐008‐0424‐9
10.1007/s00214‐008‐0424‐9 · External reference
10.1002/chem.v23.35
10.1002/chem.v23.35 · External reference
10.1021/acs.jcim.2c01662
10.1021/acs.jcim.2c01662 · External reference
10.1021/acs.analchem.1c03741
10.1021/acs.analchem.1c03741 · External reference
Unresolved reference
External reference
10.1038/s41597‐023‐02408‐4
10.1038/s41597‐023‐02408‐4 · External reference
A Compact Review of Molecular Property Prediction with Graph Neural Networks
10.1016/j.ddtec.2020.11.009 · 2020 · External reference
10.1007/978-3-031-37196-7_2
10.1007/978-3-031-37196-7_2 · 2023 · External reference
10.1093/bib/bbz042
10.1093/bib/bbz042 · External reference
10.1016/j.patcog.2022.108659
10.1016/j.patcog.2022.108659 · External reference
10.1016/j.sbi.2023.102616
10.1016/j.sbi.2023.102616 · External reference
10.1039/d3dd00254c
10.1039/d3dd00254c · External reference
10.1021/acs.jcim.7b00616
10.1021/acs.jcim.7b00616 · External reference
Unresolved reference
External reference
10.1609/aaai.v37i4.25662
10.1609/aaai.v37i4.25662 · External reference
10.1016/j.jtice.2025.106030
10.1016/j.jtice.2025.106030 · External reference
10.1016/j.drudis.2026.104602
10.1016/j.drudis.2026.104602 · External reference
10.1111/php.2018.94.issue‐2
10.1111/php.2018.94.issue‐2 · External reference
Convolutional networks on graphs for learning molecular fingerprints
2015 · External reference
Unresolved reference
External reference
10.1021/ci100050t
10.1021/ci100050t · External reference
An Empirical Study of the Impact of Hyperparameter Tuning and Model Optimization on the Performance Properties of Deep Neural Networks
10.1145/3506695 · 2022 · External reference
10.1038/s41596‐024‐01074‐z
10.1038/s41596‐024‐01074‐z · External reference
10.1016/j.fitote.2024.106135
10.1016/j.fitote.2024.106135 · External reference
Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design
2025 · External reference
10.1021/acsomega.5c08722
10.1021/acsomega.5c08722 · External reference
10.1007/978-1-4842-8111-6
10.1007/978-1-4842-8111-6 · 2022 · External reference
