X-hitting, a newly developed algorithm for automated comparison of UV data, has been used for the tracking of two novel spiro-quinazoline metabolites, lapatins A (1) and B (2), in a screening study targeting quinazolines. The structures of 1 and 2 were elucidated by analysis of spectroscopic data, primarily 2D NMR.

Download full-text PDF

Source
http://dx.doi.org/10.1021/np040248sDOI Listing

Publication Analysis

Top Keywords

algorithm automated
8
automated comparison
8
discovery natural
4
natural products
4
products application
4
application x-hitting
4
x-hitting novel
4
novel algorithm
4
comparison full
4
full spectra
4

Similar Publications

Background: To develop and test the performance of a fully automated system for classifying renal tumor subtypes via deep machine learning for automated segmentation and classification.

Materials And Methods: The model was developed using computed tomography (CT) images of pathologically proven renal tumors collected from a prospective cohort at a medical center between March 2016 and December 2020. A total of 561 renal tumors were included: 233 clear cell renal cell carcinomas (RCCs), 82 papillary RCCs, 74 chromophobe RCCs, and 172 angiomyolipomas.

View Article and Find Full Text PDF

Automatic Compliance Checking (ACC) within the Architecture, Engineering, and Construction (AEC) sector necessitates automating the interpretation of building regulations to achieve its full potential. Converting textual rules into machine-readable formats is challenging due to the complexities of natural language and the scarcity of resources for advanced Machine Learning (ML). Addressing these challenges, we introduce CODE-ACCORD, a dataset of 862 sentences from the building regulations of England and Finland.

View Article and Find Full Text PDF

Automatic segmentation of the midfacial bone surface from ultrasound images using deep learning methods.

Int J Oral Maxillofac Surg

January 2025

Department of Oral and Maxillofacial Surgery, Peking University School and Hospital of Stomatology, Beijing, China; National Center for Stomatology, Beijing, China; National Clinical Research Center for Oral Diseases, Beijing, China; National Engineering Research Center of Oral Biomaterials and Digital Medical Devices, Beijing, China. Electronic address:

With developments in computer science and technology, great progress has been made in three-dimensional (3D) ultrasound. Recently, ultrasound-based 3D bone modelling has attracted much attention, and its accuracy has been studied for the femur, tibia, and spine. The use of ultrasound allows data for bone surface to be acquired non-invasively and without radiation.

View Article and Find Full Text PDF

Biological activities observed in living systems occur as the output of which nanometer-, submicrometer-, and micrometer-sized structures and tissues non-linearly and dynamically behave through chemical reaction networks, including the generation of various molecules and their assembly and disassembly. To understand the essence of the dynamic behavior in living systems, simpler artificial objects that exhibit cell-like non-linear phenomena have been recently constructed. However, most objects exhibiting cell-like dynamics have been found through trial-and-error experiments, and there are no strategies for designing them as molecular systems.

View Article and Find Full Text PDF

In spectral analysis, selecting the right spectral variables is crucial for effective modeling. It reduces data dimensionality, removes irrelevant wavelength points, and improves both the generalization ability and computational efficiency of the model. However, the number of available samples often falls short of the total possible combinations of wavelengths, making variable selection a non-deterministic polynomial-time (NP) hard optimization problem.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!