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2020 – today
- 2026
[j30]Minglei Zhang, Jacqueline M. Cole:
Automatic Generation of a Mechanical Properties Question-Answering Data Set for Language Model Benchmarking: A Comparative Study of BERT, XLNet, and LLaMA Models. J. Chem. Inf. Model. 66(7): 3840-3857 (2026)- [i1]Leonardo Medrano Sandonas, David Balcells, Anton Bochkarev, Jacqueline M. Cole, Volker L. Deringer, Werner Dobrautz, Adrian Ehrenhofer, Thorben Frank, Pascal Friederich, Rico Friedrich, Janine George, Luca Ghiringhelli, Alejandra Hinostroza Caldas, Veronika Jurásková, Hannes Kneiding, Yury Lysogorskiy, Johannes T. Margraf, Hanna Türk, O. Anatole von Lilienfeld, Milica Todorovic, Alexandre Tkatchenko, Mariana Rossi, Gianaurelio Cuniberti:
Perspective: Towards sustainable exploration of chemical spaces with machine learning. CoRR abs/2604.00069 (2026) - 2025
- [j29]Son Gyo Jung
, Guwon Jung, Jacqueline M. Cole:
Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow. J. Chem. Inf. Model. 65(1): 133-152 (2025) - [j28]Pankaj Kumar, Saurabh Kabra, Jacqueline M. Cole:
MechBERT: Language Models for Extracting Chemical and Property Relationships about Mechanical Stress and Strain. J. Chem. Inf. Model. 65(4): 1873-1888 (2025) - [j27]DingYun Huang, Jacqueline M. Cole:
Cost-Efficient Domain-Adaptive Pretraining of Language Models for Optoelectronics Applications. J. Chem. Inf. Model. 65(5): 2476-2486 (2025) - [j26]Shiyun Liu, Jacqueline M. Cole:
Automated Determination of the Molecular Substructure from Nuclear Magnetic Resonance Spectra Using Neural Networks. J. Chem. Inf. Model. 65(16): 8435-8447 (2025) - [j25]Odysseas Sierepeklis, Jacqueline M. Cole:
Autogenerating a Domain-Specific Question-Answering Data Set from a Thermoelectric Materials Database to Enable High-Performing BERT Models. J. Chem. Inf. Model. 65(16): 8579-8592 (2025) - 2024
- [j24]Yogesh K. Dwivedi, Laurie Hughes, Harshad K. D. H. Bhadeshia, Sophia Ananiadou, Anthony G. Cohn, Jacqueline M. Cole, Gareth John Conduit, Maunendra Sankar Desarkar, Xinwei Wang:
Artificial intelligence (AI) futures: India-UK collaborations emerging from the 4th Royal Society Yusuf Hamied workshop. Int. J. Inf. Manag. 76: 102725 (2024) - [j23]Son Gyo Jung, Guwon Jung, Jacqueline M. Cole:
Automatic Prediction of Band Gaps of Inorganic Materials Using a Gradient Boosted and Statistical Feature Selection Workflow. J. Chem. Inf. Model. 64(4): 1187-1200 (2024) - [j22]Son Gyo Jung, Guwon Jung, Jacqueline M. Cole:
Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules Using Convolutional Neural Networks. J. Chem. Inf. Model. 64(5): 1486-1501 (2024) - [j21]Taketomo Isazawa, Jacqueline M. Cole:
How Beneficial Is Pretraining on a Narrow Domain-Specific Corpus for Information Extraction about Photocatalytic Water Splitting? J. Chem. Inf. Model. 64(8): 3205-3212 (2024) - [j20]Son Gyo Jung, Guwon Jung, Jacqueline M. Cole:
Machine-Learning Prediction of Curie Temperature from Chemical Compositions of Ferromagnetic Materials. J. Chem. Inf. Model. 64(16): 6388-6409 (2024) - [j19]Son Gyo Jung, Guwon Jung, Jacqueline M. Cole:
Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning. J. Chem. Inf. Model. 64(19): 7313-7336 (2024) - [j18]Son Gyo Jung, Guwon Jung, Jacqueline M. Cole:
Machine-Learning Predictions of Critical Temperatures from Chemical Compositions of Superconductors. J. Chem. Inf. Model. 64(19): 7349-7375 (2024) - 2023
- [j17]Jiuyang Zhao, Shu Huang, Jacqueline M. Cole:
OpticalBERT and OpticalTable-SQA: Text- and Table-Based Language Models for the Optical-Materials Domain. J. Chem. Inf. Model. 63(7): 1961-1981 (2023) - [j16]Damian M. Wilary, Jacqueline M. Cole:
ReactionDataExtractor 2.0: A Deep Learning Approach for Data Extraction from Chemical Reaction Schemes. J. Chem. Inf. Model. 63(19): 6053-6067 (2023) - [j15]Qingyang Dong, Jacqueline M. Cole:
Snowball 2.0: Generic Material Data Parser for ChemDataExtractor. J. Chem. Inf. Model. 63(22): 7045-7055 (2023) - 2022
- [j14]Taketomo Isazawa, Jacqueline M. Cole:
Single Model for Organic and Inorganic Chemical Named Entity Recognition in ChemDataExtractor. J. Chem. Inf. Model. 62(5): 1207-1213 (2022) - [j13]Miao Zhu, Jacqueline M. Cole:
PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format. J. Chem. Inf. Model. 62(7): 1633-1643 (2022) - [j12]Jiuyang Zhao, Jacqueline M. Cole:
Reconstructing Chromatic-Dispersion Relations and Predicting Refractive Indices Using Text Mining and Machine Learning. J. Chem. Inf. Model. 62(11): 2670-2684 (2022) - [j11]Shu Huang, Jacqueline M. Cole:
BatteryBERT: A Pretrained Language Model for Battery Database Enhancement. J. Chem. Inf. Model. 62(24): 6365-6377 (2022) - 2021
- [j10]Batuhan Yildirim, Jacqueline M. Cole:
Bayesian Particle Instance Segmentation for Electron Microscopy Image Quantification. J. Chem. Inf. Model. 61(3): 1136-1149 (2021) - [j9]Juraj Mavracic, Callum J. Court, Taketomo Isazawa, R. Stephen Elliott, Jacqueline M. Cole:
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science. J. Chem. Inf. Model. 61(9): 4280-4289 (2021) - [j8]Damian M. Wilary, Jacqueline M. Cole:
ReactionDataExtractor: A Tool for Automated Extraction of Information from Chemical Reaction Schemes. J. Chem. Inf. Model. 61(10): 4962-4974 (2021) - 2020
- [j7]Edward J. Beard, Jacqueline M. Cole:
ChemSchematicResolver: A Toolkit to Decode 2D Chemical Diagrams with Labels and R-Groups into Annotated Chemical Named Entities. J. Chem. Inf. Model. 60(4): 2059-2072 (2020) - [j6]Karim T. Mukaddem, Edward J. Beard, Batuhan Yildirim, Jacqueline M. Cole:
ImageDataExtractor: A Tool To Extract and Quantify Data from Microscopy Images. J. Chem. Inf. Model. 60(5): 2492-2509 (2020) - [j5]Callum J. Court, Batuhan Yildirim, Apoorv Jain, Jacqueline M. Cole:
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning. J. Chem. Inf. Model. 60(10): 4518-4535 (2020) - [j4]Jacqueline M. Cole:
Enumerating Intramolecular Charge Transfer in Conjugated Organic Compounds. J. Chem. Inf. Model. 60(12): 6095-6108 (2020)
2010 – 2019
- 2018
- [j3]Jacqueline M. Cole:
Data-Driven Molecular Engineering of Solar-Powered Windows. Comput. Sci. Eng. 20(1): 84-87 (2018) - 2016
- [j2]Matthew C. Swain, Jacqueline M. Cole:
ChemDataExtractor: A Toolkit for Automated Extraction of Chemical Information from the Scientific Literature. J. Chem. Inf. Model. 56(10): 1894-1904 (2016) - 2011
- [j1]Jacqueline M. Cole:
Systematic Prediction of Dyes for Dye-Sensitized Solar Cells: Data Mining via Molecular Charge-Transfer Algorithms. Complex Syst. 20(2) (2011)
Coauthor Index
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last updated on 2026-05-08 22:58 CEST by the dblp team
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