[HTML][HTML] m6A modification: recent advances, anticancer targeted drug discovery and beyond

LJ Deng, WQ Deng, SR Fan, MF Chen, M Qi, WY Lyu… - Molecular cancer, 2022 - Springer
Abstract Abnormal N6-methyladenosine (m6A) modification is closely associated with the
occurrence, development, progression and prognosis of cancer, and aberrant m6A …

[HTML][HTML] Artificial intelligence in pharmaceutical technology and drug delivery design

LK Vora, AD Gholap, K Jetha, RRS Thakur, HK Solanki… - Pharmaceutics, 2023 - mdpi.com
Artificial intelligence (AI) has emerged as a powerful tool that harnesses anthropomorphic
knowledge and provides expedited solutions to complex challenges. Remarkable …

[HTML][HTML] Artificial intelligence for drug discovery: Resources, methods, and applications

W Chen, X Liu, S Zhang, S Chen - Molecular Therapy-Nucleic Acids, 2023 - cell.com
Conventional wet laboratory testing, validations, and synthetic procedures are costly and
time-consuming for drug discovery. Advancements in artificial intelligence (AI) techniques …

Use of molecular docking computational tools in drug discovery

F Stanzione, I Giangreco, JC Cole - Progress in medicinal chemistry, 2021 - Elsevier
Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …

[HTML][HTML] The role of machine learning in clinical research: transforming the future of evidence generation

EH Weissler, T Naumann, T Andersson, R Ranganath… - Trials, 2021 - Springer
Background Interest in the application of machine learning (ML) to the design, conduct, and
analysis of clinical trials has grown, but the evidence base for such applications has not …

[HTML][HTML] A unified drug–target interaction prediction framework based on knowledge graph and recommendation system

Q Ye, CY Hsieh, Z Yang, Y Kang, J Chen, D Cao… - Nature …, 2021 - nature.com
Prediction of drug-target interactions (DTI) plays a vital role in drug development in various
areas, such as virtual screening, drug repurposing and identification of potential drug side …

[HTML][HTML] Towards the sustainable discovery and development of new antibiotics

M Miethke, M Pieroni, T Weber, M Brönstrup… - Nature Reviews …, 2021 - nature.com
An ever-increasing demand for novel antimicrobials to treat life-threatening infections
caused by the global spread of multidrug-resistant bacterial pathogens stands in stark …

Contrastive learning in protein language space predicts interactions between drugs and protein targets

R Singh, S Sledzieski, B Bryson… - Proceedings of the …, 2023 - National Acad Sciences
Sequence-based prediction of drug–target interactions has the potential to accelerate drug
discovery by complementing experimental screens. Such computational prediction needs to …

iGRLDTI: an improved graph representation learning method for predicting drug–target interactions over heterogeneous biological information network

BW Zhao, XR Su, PW Hu, YA Huang, ZH You… - …, 2023 - academic.oup.com
Motivation The task of predicting drug–target interactions (DTIs) plays a significant role in
facilitating the development of novel drug discovery. Compared with laboratory-based …

Interpretable bilinear attention network with domain adaptation improves drug–target prediction

P Bai, F Miljković, B John, H Lu - Nature Machine Intelligence, 2023 - nature.com
Predicting drug–target interaction is key for drug discovery. Recent deep learning-based
methods show promising performance, but two challenges remain: how to explicitly model …