Deep learning in drug discovery: an integrative review and future challenges

H Askr, E Elgeldawi, H Aboul Ella… - Artificial Intelligence …, 2023 - Springer
Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of develo** new drugs. Deep learning (DL) …

Incorporating machine learning into established bioinformatics frameworks

N Auslander, AB Gussow, EV Koonin - International journal of molecular …, 2021 - mdpi.com
The exponential growth of biomedical data in recent years has urged the application of
numerous machine learning techniques to address emerging problems in biology and …

Identifying drug–target interactions based on graph convolutional network and deep neural network

T Zhao, Y Hu, LR Valsdottir, T Zang… - Briefings in …, 2021 - academic.oup.com
Identification of new drug–target interactions (DTIs) is an important but a time-consuming
and costly step in drug discovery. In recent years, to mitigate these drawbacks, researchers …

A novel link prediction algorithm for protein-protein interaction networks by attributed graph embedding

E Nasiri, K Berahmand, M Rostami, M Dabiri - Computers in Biology and …, 2021 - Elsevier
The prediction of interactions in protein networks is very critical in various biological
processes. In recent years, scientists have focused on computational approaches to predict …

DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features

Y Chu, AC Kaushik, X Wang, W Wang… - Briefings in …, 2021 - academic.oup.com
Drug–target interactions (DTIs) play a crucial role in target-based drug discovery and
development. Computational prediction of DTIs can effectively complement experimental …

DDR: efficient computational method to predict drug–target interactions using graph mining and machine learning approaches

RS Olayan, H Ashoor, VB Bajic - Bioinformatics, 2018 - academic.oup.com
Motivation Finding computationally drug–target interactions (DTIs) is a convenient strategy
to identify new DTIs at low cost with reasonable accuracy. However, the current DTI …

Application of network link prediction in drug discovery

K Abbas, A Abbasi, S Dong, L Niu, L Yu, B Chen… - BMC …, 2021 - Springer
Background Technological and research advances have produced large volumes of
biomedical data. When represented as a network (graph), these data become useful for …

Predicting potential drug-drug interactions on topological and semantic similarity features using statistical learning

A Kastrin, P Ferk, B Leskošek - PloS one, 2018 - journals.plos.org
Drug-drug interaction (DDI) is a change in the effect of a drug when patient takes another
drug. Characterizing DDIs is extremely important to avoid potential adverse drug reactions …

A comprehensive review of computational cell cycle models in guiding cancer treatment strategies

C Ma, E Gurkan-Cavusoglu - NPJ Systems Biology and Applications, 2024 - nature.com
This article reviews the current knowledge and recent advancements in computational
modeling of the cell cycle. It offers a comparative analysis of various modeling paradigms …

DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method

Y Chu, X Shan, T Chen, M Jiang, Y Wang… - Briefings in …, 2021 - academic.oup.com
Identifying drug-target interactions (DTIs) is an important step for drug discovery and drug
repositioning. To reduce the experimental cost, a large number of computational …