AIMC Topic: Computational Biology

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Generative Biomedical Event Extraction With Constrained Decoding Strategy.

IEEE/ACM transactions on computational biology and bioinformatics
Currently, biomedical event extraction has received considerable attention in various fields, including natural language processing, bioinformatics, and computational biomedicine. This has led to the emergence of numerous machine learning and deep le...

De Novo Drug Design by Multi-Objective Path Consistency Learning With Beam A Search.

IEEE/ACM transactions on computational biology and bioinformatics
Generating high-quality and drug-like molecules from scratch within the expansive chemical space presents a significant challenge in the field of drug discovery. In prior research, value-based reinforcement learning algorithms have been employed to g...

A Knowledge Graph-Based Method for Drug-Drug Interaction Prediction With Contrastive Learning.

IEEE/ACM transactions on computational biology and bioinformatics
Precisely predicting Drug-Drug Interactions (DDIs) carries the potential to elevate the quality and safety of drug therapies, protecting the well-being of patients, and providing essential guidance and decision support at every stage of the drug deve...

Enhancing Spatial Domain Identification in Spatially Resolved Transcriptomics Using Graph Convolutional Networks With Adaptively Feature-Spatial Balance and Contrastive Learning.

IEEE/ACM transactions on computational biology and bioinformatics
Recent advancements in spatially transcriptomics (ST) technologies have enabled the comprehensive measurement of gene expression profiles while preserving the spatial information of cells. Combining gene expression profiles and spatial information ha...

A Protein-Context Enhanced Master Slave Framework for Zero-Shot Drug Target Interaction Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
Drug Target Interaction (DTI) prediction plays a crucial role in in-silico drug discovery, especially for deep learning (DL) models. Along this line, existing methods usually first extract features from drugs and target proteins, and use drug-target ...

Incremental RPN: Hierarchical Region Proposal Network for Apple Leaf Disease Detection in Natural Environments.

IEEE/ACM transactions on computational biology and bioinformatics
Apple leaf diseases can seriously affect apple production and quality, and accurately detecting them can improve the efficiency of disease monitoring. Owing to the complex natural growth environment, apple leaf lesions may be easily confused with bac...

Improving Antifreeze Proteins Prediction With Protein Language Models and Hybrid Feature Extraction Networks.

IEEE/ACM transactions on computational biology and bioinformatics
Accurate identification of antifreeze proteins (AFPs) is crucial in developing biomimetic synthetic anti-icing materials and low-temperature organ preservation materials. Although numerous machine learning-based methods have been proposed for AFPs pr...

Reinforced Metapath Optimization in Heterogeneous Information Networks for Drug-Target Interaction Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
Graph neural networks offer an effective avenue for predicting drug-target interactions. In this domain, researchers have found that constructing heterogeneous information networks based on metapaths using diverse biological datasets enhances predict...

GenoM7GNet: An Efficient N-Methylguanosine Site Prediction Approach Based on a Nucleotide Language Model.

IEEE/ACM transactions on computational biology and bioinformatics
N-methylguanosine (m7G), one of the mainstream post-transcriptional RNA modifications, occupies an exceedingly significant place in medical treatments. However, classic approaches for identifying m7G sites are costly both in time and equipment. Meanw...

CTsynther: Contrastive Transformer Model for End-to-End Retrosynthesis Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
Retrosynthesis prediction is a fundamental problem in organic chemistry and drug synthesis. We proposed an end-to-end deep learning model called CTsynther (Contrastive Transformer for single-step retrosynthesis prediction model) that could provide si...