Results 291 to 300 of about 113,308 (358)

TransVAE-DTA: Transformer and variational autoencoder network for drug-target binding affinity prediction

Comput. Methods Programs Biomed., 2023
BACKGROUND AND OBJECTIVE Recent studies have emphasized the significance of computational in silico drug-target binding affinity (DTA) prediction in the field of drug discovery and drug repurposing. However, existing DTA prediction approaches suffer from
Changjian Zhou, Zhongzheng Li, Jia Song, Wensheng Xiang   +3 more
semanticscholar   +1 more source

HiSIF-DTA: A Hierarchical Semantic Information Fusion Framework for Drug-Target Affinity Prediction

IEEE journal of biomedical and health informatics, 2023
Accurately identifying drug-target affinity (DTA) plays a significant role in promoting drug discovery and has attracted increasing attention in recent years.
Xiangpeng Bi, Shugang Zhang, Wenjian Ma, Huasen Jiang, Zhiqiang Wei   +4 more
semanticscholar   +1 more source

GSAML-DTA: An interpretable drug-target binding affinity prediction model based on graph neural networks with self-attention mechanism and mutual information

Comput. Biol. Medicine, 2022
Identifying drug-target affinity (DTA) has great practical importance in the process of designing efficacious drugs for known diseases. Recently, numerous deep learning-based computational methods have been developed to predict drug-target affinity and ...
Jiaqi Liao, Haoyang Chen, Lesong Wei, Leyi Wei   +3 more
semanticscholar   +1 more source

Modality-DTA: Multimodality Fusion Strategy for Drug–Target Affinity Prediction

IEEE/ACM Transactions on Computational Biology & Bioinformatics, 2022
Prediction of the drug–target affinity (DTA) plays an important role in drug discovery. Existing deep learning methods for DTA prediction typically leverage a single modality, namely simplified molecular input line entry specification (SMILES) or amino ...
Xixi Yang, Zhangming Niu, Yuansheng Liu, Bosheng Song, Weiqiang Lu, Li Zeng, Xiangxiang Zeng   +6 more
semanticscholar   +1 more source

Characterization of hydroxypropyl-β-cyclodextrins with different substitution patterns via FTIR, GC–MS, and TG–DTA

Carbohydrate Polymers, 2015
Chao Yuan, Benguo Liu
exaly   +2 more sources

Nano-DTA and nano-DSC with cantilever-type calorimeter

Thermochimica Acta, 2016
Osamu Nakabeppu
exaly   +2 more sources

MMPD-DTA: Integrating Multi-Modal Deep Learning with Pocket-Drug Graphs for Drug-Target Binding Affinity Prediction

Journal of Chemical Information and Modeling
Predicting drug-target binding affinity (DTA) is a crucial task in drug discovery research. Recent studies have demonstrated that pocket features and interactions between targets and drugs significantly improve the understanding of DTA.
Guishen Wang, Hangchen Zhang, Mengting Shao, Shisen Sun, Chen Cao   +4 more
semanticscholar   +1 more source

A DTA study of phenols

Journal of Thermal Analysis, 1990
A comprehensive DTA study is reported of eight methyl-phenols, 4-methoxy-phenol and four methyl-halo-phenols and of the corresponding p-nitrobenzoylchloride, 3,5-dinitrobenzoylehloride and p-phenylazobenzoylchloride derivatives, prepared 'in situ' by heating intimate mixtures of phenol and acid chloride in a DTA system.
N. G. Buckman, J. O. Hill, R. J. Magee
openaire   +2 more sources