A key review on graph data science: The power of graphs in scientific studies
This comprehensive review provides an in-depth analysis of graph theory, various graph
types, and the role of graph visualization in scientific studies. Graphs serve as powerful tools …
types, and the role of graph visualization in scientific studies. Graphs serve as powerful tools …
Lo-hi: Practical ml drug discovery benchmark
S Steshin - Advances in Neural Information Processing …, 2023 - proceedings.neurips.cc
Finding new drugs is getting harder and harder. One of the hopes of drug discovery is to use
machine learning models to predict molecular properties. That is why models for molecular …
machine learning models to predict molecular properties. That is why models for molecular …
Application of Artificial Intelligence In Drug-target Interactions Prediction: A Review
Q Liao, Y Zhang, Y Chu, Y Ding, Z Liu, X Zhao… - npj Biomedical …, 2025 - nature.com
Predicting drug-target interactions (DTI) is a complex task. With the introduction of artificial
intelligence (AI) methods such as machine learning and deep learning, AI-based DTI …
intelligence (AI) methods such as machine learning and deep learning, AI-based DTI …
Development of a CapsNet and Fuzzy Logic decision support system for diagnosing the Scoliosis and planning treatments via Schroth method
S Goral, U Kose - IEEE Access, 2022 - ieeexplore.ieee.org
Scoliosis is a disease caused by the spine curving. It is treatable but physiotherapists may
do different measurements for curvature angles. That'sa problem affecting the treatment …
do different measurements for curvature angles. That'sa problem affecting the treatment …
Large-scale prediction of collision cross-section with very deep graph convolutional network for small molecule identification
T **e, Q Yang, J Sun, H Zhang, Y Wang… - Chemometrics and …, 2024 - Elsevier
Ion mobility spectrometry (IMS) is a promising analytical technique for mass spectrometry
(MS)-based compound identification by providing collision cross-section (CCS) value as an …
(MS)-based compound identification by providing collision cross-section (CCS) value as an …
[HTML][HTML] A graph neural network-based model with Out-of-Distribution Robustness for enhancing Antiretroviral Therapy Outcome Prediction for HIV-1
Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical
challenge, especially when the ART includes drugs with limited effectiveness data. This …
challenge, especially when the ART includes drugs with limited effectiveness data. This …
Computational drug discovery on human immunodeficiency virus with a customized long short‐term memory variational autoencoder deep‐learning architecture
Despite attempts to control the spread of human immunodeficiency virus (HIV) through the
use of anti‐HIV medications, the absence of an effective vaccine continues to present a …
use of anti‐HIV medications, the absence of an effective vaccine continues to present a …
Improving Predictive Efficacy for Drug Resistance in Novel HIV-1 Protease Inhibitors through Transfer Learning Mechanisms
The human immunodeficiency virus presents a significant global health challenge due to its
rapid mutation and the development of resistance mechanisms against antiretroviral drugs …
rapid mutation and the development of resistance mechanisms against antiretroviral drugs …
Structural aspects of HIV-1 integrase inhibitors: SAR studies and synthetic strategies
Acquired immunodeficiency syndrome (AIDS) poses a significant threat to life. Antiretroviral
therapy is employed to diminish the replication of the human immunodeficiency virus (HIV) …
therapy is employed to diminish the replication of the human immunodeficiency virus (HIV) …
Fault Location Method of Distribution Network Based on VGAE-GraphSAGE.
M Fan, J **a, H Zhang, X Zhang - Processes, 2024 - search.ebscohost.com
The distribution network is the main component of the power system, which undertakes the
important function of power transmission and distribution. Fast and accurate distribution …
important function of power transmission and distribution. Fast and accurate distribution …