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Missing value replacement in strings and applications.
Data Min Knowl Discov
January 2025
CWI, Amsterdam, The Netherlands.
Missing values arise routinely in real-world sequential (string) datasets due to: (1) imprecise data measurements; (2) flexible sequence modeling, such as binding profiles of molecular sequences; or (3) the existence of confidential information in a dataset which has been deleted deliberately for privacy protection. In order to analyze such datasets, it is often important to replace each missing value, with one or more letters, in an efficient and effective way. Here we formalize this task as a combinatorial optimization problem: the set of constraints includes the of the missing value (i.
View Article and Find Full Text PDFEnhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks.
J Chem Inf Model
January 2025
Department of Chemical Engineering, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan.
Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, leading to a scarcity of high-quality activation energy data. In this work, we explore and compare three innovative approaches (transfer learning, delta learning, and feature engineering) to enhance the accuracy of activation energy predictions using graph neural networks, specifically focusing on methods that incorporate low-cost, low-level computational data.
View Article and Find Full Text PDFStructural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease.
Viruses
January 2025
Department of Biochemistry and Molecular Biotechnology, University of Massachusetts Chan Medical School, Worcester, MA 01605, USA.
Enterovirus-D68 (EV68) continues to present as a global health issue causing respiratory illness and outbreaks associated with long-lasting neurological disease, with no antivirals or specific treatment options. The development of antiviral therapeutics, such as small-molecule inhibitors that target conserved proteins like the enteroviral 3C protease, remains to be achieved. While various 3C inhibitors have been investigated, their design does not consider the potential emergence of drug resistance mutations.
View Article and Find Full Text PDFTranscriptome and Neuroendocrinome Responses to Environmental Stress in the Model and Pest Insect .
Int J Mol Sci
January 2025
Guizhou Provincial Key Laboratory for Agricultural Pest Management of the Mountainous Region, Institute of Entomology, Guizhou University, Guiyang 550025, China.
The fall armyworm, , is one of the most notorious pest insects, causing damage to more than 350 plant species, and is feared worldwide as an invasive pest species since it exhibits high adaptivity against environmental stress. Here, we therefore investigated its transcriptome responses to four different types of stresses, namely cold, heat, no water and no food. We used brain samples as our interest was in the neuroendocrine responses, while previous studies used whole bodies of larvae or moths.
View Article and Find Full Text PDFQuantitative Trait Loci for Phenology, Yield, and Phosphorus Use Efficiency in Cowpea.
Genes (Basel)
January 2025
International Institute of Tropical Agriculture, PMB 3112, Kano 700223, Nigeria.
Background/objectives: Cowpea is an important legume crop in sub-Saharan Africa (SSA) and beyond. However, access to phosphorus (P), a critical element for plant growth and development, is a significant constraint in SSA. Thus, it is essential to have high P-use efficiency varieties to achieve increased yields in environments where little-to- no phosphate fertilizers are applied.
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