Jiye Kim

LG AI Research, Sehyun Chun, Jiye Kim et al.

The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep learning framework that unifies molecule detection, reaction diagram parsing, and optical chemical structure recognition (OCSR) into a single pipeline for automating the extraction of chemical data directly from page-level documents. Recognizing the lack of a standard page-level benchmark and evaluation metric, we also present a testset of 550 pages annotated with molecule bounding boxes, reaction labels, and MOLfiles, along with a novel evaluation metric. Experimental results demonstrate that MolMole outperforms existing toolkits on both our benchmark and public datasets. The benchmark testset will be publicly available, and the MolMole toolkit will be accessible soon through an interactive demo on the LG AI Research website. For commercial inquiries, please contact us at \href{mailto:contact_ddu@lgresearch.ai}{contact\_ddu@lgresearch.ai}.

Taechang Kim, Sooyeon Ji, Kyeongseon Min et al.

$χ$-separation is an advanced quantitative susceptibility mapping (QSM) method that is designed to generate paramagnetic ($χ_{para}$) and diamagnetic ($|χ_{dia}|$) susceptibility maps, reflecting the distribution of iron and myelin in the brain. However, vessels have shown artifacts, interfering with the accurate quantification of iron and myelin in applications. To address this challenge, a new vessel segmentation method for $χ$-separation is developed. The method comprises three steps: 1) Seed generation from $\textit{R}_2^*$ and the product of $χ_{para}$ and $|χ_{dia}|$ maps; 2) Region growing, guided by vessel geometry, creating a vessel mask; 3) Refinement of the vessel mask by excluding non-vessel structures. The performance of the method was compared to conventional vessel segmentation methods both qualitatively and quantitatively. To demonstrate the utility of the method, it was tested in two applications: quantitative evaluation of a neural network-based $χ$-separation reconstruction method ($χ$-sepnet-$\textit{R}_2^*$) and population-averaged region of interest (ROI) analysis. The proposed method demonstrates superior performance to the conventional vessel segmentation methods, effectively excluding the non-vessel structures, achieving the highest Dice score coefficient. For the applications, applying vessel masks report notable improvements for the quantitative evaluation of $χ$-sepnet-$\textit{R}_2^*$ and statistically significant differences in population-averaged ROI analysis. These applications suggest excluding vessels when analyzing the $χ$-separation maps provide more accurate evaluations. The proposed method has the potential to facilitate various applications, offering reliable analysis through the generation of a high-quality vessel mask.