[HTML][HTML] Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery

R Han, H Yoon, G Kim, H Lee, Y Lee - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

DRESIS: the first comprehensive landscape of drug resistance information

X Sun, Y Zhang, H Li, Y Zhou, S Shi… - Nucleic acids …, 2023 - academic.oup.com
Widespread drug resistance has become the key issue in global healthcare. Extensive
efforts have been made to reveal not only diverse diseases experiencing drug resistance …

Predicting miRNA–disease associations via learning multimodal networks and fusing mixed neighborhood information

Z Lou, Z Cheng, H Li, Z Teng, Y Liu… - Briefings in …, 2022 - academic.oup.com
Motivation In recent years, a large number of biological experiments have strongly shown
that miRNAs play an important role in understanding disease pathogenesis. The discovery …

[HTML][HTML] AttentionMGT-DTA: A multi-modal drug-target affinity prediction using graph transformer and attention mechanism

H Wu, J Liu, T Jiang, Q Zou, S Qi, Z Cui, P Tiwari… - Neural Networks, 2024 - Elsevier
The accurate prediction of drug-target affinity (DTA) is a crucial step in drug discovery and
design. Traditional experiments are very expensive and time-consuming. Recently, deep …

Identification of drug-side effect association via restricted Boltzmann machines with penalized term

Y Qian, Y Ding, Q Zou, F Guo - Briefings in Bioinformatics, 2022 - academic.oup.com
In the entire life cycle of drug development, the side effect is one of the major failure factors.
Severe side effects of drugs that go undetected until the post-marketing stage leads to …

[HTML][HTML] AMDGT: Attention aware multi-modal fusion using a dual graph transformer for drug–disease associations prediction

J Liu, S Guan, Q Zou, H Wu, P Tiwari, Y Ding - Knowledge-Based Systems, 2024 - Elsevier
Identification of new indications for existing drugs is crucial through the various stages of
drug discovery. Computational methods are valuable in establishing meaningful …

A comparative analytical review on machine learning methods in Drugtarget interactions prediction

Z Nikraftar, MR Keyvanpour - Current Computer-Aided Drug …, 2023 - ingentaconnect.com
Background: Predicting drug-target interactions (DTIs) is an important topic of study in the
field of drug discovery and development. Since DTI prediction in vitro studies is very …

Identification of drug-side effect association via multi-view semi-supervised sparse model

Y Ding, F Guo, P Tiwari, Q Zou - IEEE Transactions on Artificial …, 2023 - ieeexplore.ieee.org
The association between drugs and side effects encompasses information about approved
medications and their documented adverse drug reactions. Traditional experimental …

Predicting microbe–drug associations with structure-enhanced contrastive learning and self-paced negative sampling strategy

Z Tian, Y Yu, H Fang, W Xie, M Guo - Briefings in Bioinformatics, 2023 - academic.oup.com
Motivation Predicting the associations between human microbes and drugs (MDAs) is one
critical step in drug development and precision medicine areas. Since discovering these …

[HTML][HTML] Structured sparse regularization based random vector functional link networks for DNA N4-methylcytosine sites prediction

H Xie, Y Ding, Y Qian, P Tiwari, F Guo - Expert Systems with Applications, 2024 - Elsevier
As an epigenetic modification that plays an important role in modifying gene function and
controlling gene expression during cell development, DNA N4-methylcytosine (4mC) is still …