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 …

DPDDI: a deep predictor for drug-drug interactions

YH Feng, SW Zhang, JY Shi - BMC bioinformatics, 2020 - Springer
Background The treatment of complex diseases by taking multiple drugs becomes
increasingly popular. However, drug-drug interactions (DDIs) may give rise to the risk of …

AMDE: a novel attention-mechanism-based multidimensional feature encoder for drug–drug interaction prediction

S Pang, Y Zhang, T Song, X Zhang… - Briefings in …, 2022 - academic.oup.com
The properties of the drug may be altered by the combination, which may cause unexpected
drug–drug interactions (DDIs). Prediction of DDIs provides combination strategies of drugs …

[HTML][HTML] The potential applications of artificial intelligence in drug discovery and development

H Farghali, NK Canová, M Arora - Physiological Research, 2021 - ncbi.nlm.nih.gov
Development of a new dug is a very lengthy and highly expensive process since only
preclinical, pharmacokinetic, pharmacodynamic and toxicological studies include a multiple …

Deep learning in drug target interaction prediction: current and future perspectives

K Abbasi, P Razzaghi, A Poso… - Current Medicinal …, 2021 - ingentaconnect.com
Drug-target Interactions (DTIs) prediction plays a central role in drug discovery.
Computational methods in DTIs prediction have gained more attention because carrying out …

DNN-DTIs: Improved drug-target interactions prediction using XGBoost feature selection and deep neural network

C Chen, H Shi, Z Jiang, A Salhi, R Chen, X Cui… - Computers in Biology …, 2021 - Elsevier
Abstract Analysis and prediction of drug-target interactions (DTIs) play an important role in
understanding drug mechanisms, as well as drug repositioning and design. Machine …

AutoDTI++: deep unsupervised learning for DTI prediction by autoencoders

SZ Sajadi, MA Zare Chahooki, S Gharaghani… - BMC …, 2021 - Springer
Background Drug–target interaction (DTI) plays a vital role in drug discovery. Identifying
drug–target interactions related to wet-lab experiments are costly, laborious, and time …

Prediction of drug-target interactions and drug repositioning via network-based inference

F Cheng, C Liu, J Jiang, W Lu, W Li, G Liu… - PLoS computational …, 2012 - journals.plos.org
Drug-target interaction (DTI) is the basis of drug discovery and design. It is time consuming
and costly to determine DTI experimentally. Hence, it is necessary to develop computational …

iDTI-ESBoost: identification of drug target interaction using evolutionary and structural features with boosting

F Rayhan, S Ahmed, S Shatabda, DM Farid… - Scientific reports, 2017 - nature.com
Prediction of new drug-target interactions is critically important as it can lead the researchers
to find new uses for old drugs and to disclose their therapeutic profiles or side effects …

Machine learning approaches and databases for prediction of drug–target interaction: a survey paper

M Bagherian, E Sabeti, K Wang… - Briefings in …, 2021 - academic.oup.com
The task of predicting the interactions between drugs and targets plays a key role in the
process of drug discovery. There is a need to develop novel and efficient prediction …