文献类型：期刊文献

英文题名：MPOCSR: optical chemical structure recognition based on multi-path Vision Transformer

作者：Lin, Fan[1];Li, Jianhua[1]

机构：[1]East China Univ Sci & Technol, Sch Informat Sci & Engn, Shanghai 200237, Peoples R China

年份：2024

卷号：10

期号：6

起止页码：7553

外文期刊名：COMPLEX & INTELLIGENT SYSTEMS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:001274320900001)】；

基金：No Statement Available

语种：英文

外文关键词：Optical chemical structure recognition; Deep learning; Multi-path Vision Transformer; Encoder-decoder architecture

摘要：Optical chemical structure recognition (OCSR) is a fundamental and crucial task in the field of chemistry, which aims at transforming intricate chemical structure images into machine-readable formats. Current deep learning-based OCSR methods typically use image feature extractors to extract visual features and employ encoder-decoder architectures for chemical structure recognition. However, the performance of these methods is limited by their image feature extractors and the class imbalance of elements in chemical structure representation. This paper proposes MPOCSR (multi-path optical chemical structure recognition), which introduces the multi-path Vision Transformer (MPViT) and the class-balanced (CB) loss function to address these two challenges. MPOCSR uses MPViT as an image feature extractor, combining the advantages of convolutional neural networks and Vision Transformers. This strategy enables the provision of richer visual information for subsequent decoding processes. Furthermore, MPOCSR incorporates CB loss function to rebalance the loss weights among different categories. For training and validation of our method, we constructed a dataset that includes both Markush and non-Markush structures. Experimental results show that MPOCSR achieves an accuracy of 90.95% on the test set, surpassing other existing methods.