Yanlei Kang
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View article: DRFormer: A Benchmark Model for RNA Sequence Downstream Tasks
DRFormer: A Benchmark Model for RNA Sequence Downstream Tasks Open
Background/Objectives: RNA research is critical for understanding gene regulation, disease mechanisms, and therapeutic development. Constructing effective RNA benchmark models for accurate downstream analysis has become a significant resea…
View article: Variation and evolution analysis of SARS-CoV-2 using self-game sequence optimization
Variation and evolution analysis of SARS-CoV-2 using self-game sequence optimization Open
Introduction The evolution of SARS-CoV-2 has precipitated the emergence of new mutant strains, some exhibiting enhanced transmissibility and immune evasion capabilities, thus escalating the infection risk and diminishing vaccine efficacy. …
View article: MVGNet: Prediction of PI3K Inhibitors Using Multitask Learning and Multiview Frameworks
MVGNet: Prediction of PI3K Inhibitors Using Multitask Learning and Multiview Frameworks Open
PI3K (phosphatidylinositol 3-kinase) is an intracellular phosphatidylinositol kinase composed of a regulatory subunit, p85, and a catalytic subunit, p110. Based on the different structures of the p110 catalytic subunit, PI3K can be divided…
View article: MMFSyn: A Multimodal Deep Learning Model for Predicting Anticancer Synergistic Drug Combination Effect
MMFSyn: A Multimodal Deep Learning Model for Predicting Anticancer Synergistic Drug Combination Effect Open
Combination therapy aims to synergistically enhance efficacy or reduce toxic side effects and has widely been used in clinical practice. However, with the rapid increase in the types of drug combinations, identifying the synergistic relati…
View article: An Enhanced Deep Learning-Based Pharmaceutical Crystal Detection with Regional Filtering
An Enhanced Deep Learning-Based Pharmaceutical Crystal Detection with Regional Filtering Open
In the process of pharmaceutical crystallization, the automatic detection of crystal shapes in images is important since controlling the morphology of the crystals improves the quality of pharmaceutical crystals. In this paper, a novel ima…
View article: Cocrystal Prediction Based on Deep Forest Model—A Case Study of Febuxostat
Cocrystal Prediction Based on Deep Forest Model—A Case Study of Febuxostat Open
To aid cocrystal screening, a deep forest-based cocrystal prediction model was developed in this study using data from the Cambridge Structural Database (CSD). The positive samples in the experiment came from the CSD. The negative samples …
View article: CCDC 2243282: Experimental Crystal Structure Determination
CCDC 2243282: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A Facile Raman Spectroscopy Method for Online Monitoring of Crystal Plane Orientation of Favipiravir
A Facile Raman Spectroscopy Method for Online Monitoring of Crystal Plane Orientation of Favipiravir Open
The efficiency of pharmacotherapy is significantly influenced by the crystal habit and polymorphic form of the drugs. Especially due to the anisotropy of different facets in crystalline material, crystal habit impacts the physicochemical p…
View article: AFTGAN: prediction of multi-type PPI based on attention free transformer and graph attention network
AFTGAN: prediction of multi-type PPI based on attention free transformer and graph attention network Open
Motivation Protein–protein interaction (PPI) networks and transcriptional regulatory networks are critical in regulating cells and their signaling. A thorough understanding of PPIs can provide more insights into cellular physiology at norm…
View article: Identification of Specific Pathogen-Infected sRNA-Mediated Interactions between Turnip Yellows Virus and Arabidopsis thaliana
Identification of Specific Pathogen-Infected sRNA-Mediated Interactions between Turnip Yellows Virus and Arabidopsis thaliana Open
Virus infestation can seriously harm the host plant’s growth and development. Turnip yellows virus (TuYV) infestation of host plants can cause symptoms, such as yellowing and curling of leaves and root chlorosis. However, the regulatory me…
View article: Drug Repositioning Based on the Enhanced Message Passing and Hypergraph Convolutional Networks
Drug Repositioning Based on the Enhanced Message Passing and Hypergraph Convolutional Networks Open
Drug repositioning, an important method of drug development, is utilized to discover investigational drugs beyond the originally approved indications, expand the application scope of drugs, and reduce the cost of drug development. With the…
View article: CCDC 1950529: Experimental Crystal Structure Determination
CCDC 1950529: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Investigation of Solubility Behavior of Canagliflozin Hydrate Crystals Combining Crystallographic and Hirshfeld Surface Calculations
Investigation of Solubility Behavior of Canagliflozin Hydrate Crystals Combining Crystallographic and Hirshfeld Surface Calculations Open
Canagliflozin (CG) was a highly effective, selective and reversible inhibitor of sodium-dependent glucose co-transporter 2 developed for the treatment of type 2 diabetes mellitus. The crystal structure of CG monohydrate (CG-H2O) was report…
View article: Low-Content Quantitation in Entecavir Tablets Using 1064 nm Raman Spectroscopy
Low-Content Quantitation in Entecavir Tablets Using 1064 nm Raman Spectroscopy Open
The nondestructive and high sensitive analysis of a low content of an active pharmaceutical ingredient (API) was a difficult problem, especially in a complex system of pharmaceutical formulations. In this paper, a rapid and no sample prepa…
View article: CCDC 1479833: Experimental Crystal Structure Determination
CCDC 1479833: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …