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Maria Isabel Agea

dblp:355/2674 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2023
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021Graphics, computer vision, multimedia, augmented reality and games · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Information extraction and text analysis · 50% Graph learning · 50%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 5 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Natural language and speech › Information extraction and text analysis › document understanding › document image analysis
chemical structure recognition
0.712023
MolGrapher: Graph-based Visual Recognition of Chemical Structures · ICCV 2023
Machine learning › Graph learning
graph neural network
0.712023
MolGrapher: Graph-based Visual Recognition of Chemical Structures · ICCV 2023
Machine learning › Graph learning › graph neural network › node classification
graph node classification
0.712023
MolGrapher: Graph-based Visual Recognition of Chemical Structures · ICCV 2023
Natural language and speech › Information extraction and text analysis › document understanding › document image analysis
optical chemical structure recognition
0.712023
MolGrapher: Graph-based Visual Recognition of Chemical Structures · ICCV 2023
Bioinformatics and computational biology › molecular informatics
cheminformatics
0.212023
MolGrapher: Graph-based Visual Recognition of Chemical Structures · ICCV 2023

Methods — techniques the papers use, named apart from their topics

synthetic data generation · 1.3graph neural network · 1.3deep keypoint detection · 1.3
YearPublicationVenuePosition
2023 MolGrapher: Graph-based Visual Recognition of Chemical Structures
abstract
The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the molecule structures. However, automatically parsing the exact chemical structure is a formidable challenge, due to the amount of detailed information, the diversity of drawing styles, and the need for training data. In this work, we introduce MolGrapher to recognize chemical structures visually. First, a deep keypoint detector detects the atoms. Second, we treat all candidate atoms and bonds as nodes and put them in a graph. This construct allows a natural graph representation of the molecule. Last, we classify atom and bond nodes in the graph with a Graph Neural Network. To address the lack of real training data, we propose a synthetic data generation pipeline producing diverse and realistic results. In addition, we introduce a large-scale benchmark of annotated real molecule images, USPTO-30K, to spur research on this critical topic. Extensive experiments on five datasets show that our approach significantly outperforms classical and learning-based methods in most settings. Code, models, and datasets are available1.
Lucas Morin, Martin Danelljan, Maria Isabel Agea, Ahmed S. Nassar, Valéry Weber, Gerhard Ingmar Meijer, Peter W. J. Staar, Fisher Yu 0001
ICCV3