We have developed a three-dimensional structure database of natural metabolites (3DMET). Early development of the 3DMET database relied on content auto-generated from 2D-structures of other chemical databases. From 2009, we began manual curation, obtaining new compounds from published works. In the process of curation, problems of digitizing 3D-structures from structure drawings of documents were accumulated. As the same as auto-generation, structure drawings should be also payed attention about stereochemistry. Our experiences in manual curation of 3DMET, as described herein, may be useful to others in this field of research and for the development of supporting systems of a chemical structure database. Manual curation is still necessary for proper database entry of the 3D-configurations of chiral atoms, a problem encountered frequently among natural products.
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http://dx.doi.org/10.2142/biophysico.15.0_87 | DOI Listing |
J Med Internet Res
December 2024
Joint Laboratory of Artificial Intelligence for Critical Care Medicine, Department of Critical Care Medicine and Institutes for Systems Genetics, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, China.
Background: Large language models (LLMs) are increasingly integrated into medical education, with transformative potential for learning and assessment. However, their performance across diverse medical exams globally has remained underexplored.
Objective: This study aims to introduce MedExamLLM, a comprehensive platform designed to systematically evaluate the performance of LLMs on medical exams worldwide.
Knee Surg Sports Traumatol Arthrosc
December 2024
Department of Orthopaedic Surgery, Centre Hospitalier de Luxembourg - Clinique d'Eich, Luxembourg, Luxembourg.
Purpose: While public databases like Transfermarkt provide valuable data for assessing the impact of anterior cruciate ligament (ACL) injuries in professional footballers, they require robust verification methods due to accuracy concerns. We hypothesised that an artificial intelligence (AI)-powered framework could cross-check ACL tear-related information from large publicly available data sets with high specificity.
Methods: The AI-powered framework uses Google Programmable Search Engine to search a curated, multilingual list of websites and OpenAI's GPT to translate search queries, appraise search results and analyse injury-related information in search result items (SRIs).
Phys Imaging Radiat Oncol
October 2024
Amsterdam UMC location Vrije Universiteit Amsterdam, Department of Radiation Oncology, De Boelelaan 1117, Amsterdam, the Netherlands.
Background And Purpose: Segmentation imperfections (noise) in radiotherapy organ-at-risk segmentation naturally arise from specialist experience and image quality. Using clinical contours can result in sub-optimal convolutional neural network (CNN) training and performance, but manual curation is costly. We address the impact of simulated and clinical segmentation noise on CNN parotid gland (PG) segmentation performance and provide proof-of-concept for an easily implemented auto-curation countermeasure.
View Article and Find Full Text PDFFront Genet
December 2024
Genomenon, Ann Arbor, MI, United States.
Accurate variant classification is critical for genetic diagnosis. Variants without clear classification, known as "variants of uncertain significance" (VUS), pose a significant diagnostic challenge. This study examines AlphaMissense performance in variant classification, specifically for VUS.
View Article and Find Full Text PDFBioinformatics
December 2024
Plant Biology Section, School of Integrative Plant Science, Cornell University, Ithaca, NY 14853, United States.
Motivation: Thousands of genomes are publicly available, however, most genes in those genomes have poorly defined functions. This is partly due to a gap between previously published, experimentally-characterized protein activities and activities deposited in databases. This activity deposition is bottlenecked by the time-consuming biocuration process.
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