Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

[PDF][PDF] Machine learning for multi-omics data integration in cancer

Z Cai, RC Poulos, J Liu, Q Zhong - Iscience, 2022 - cell.com
Multi-omics data analysis is an important aspect of cancer molecular biology studies and
has led to ground-breaking discoveries. Many efforts have been made to develop machine …

GraphDTA: predicting drug–target binding affinity with graph neural networks

T Nguyen, H Le, TP Quinn, T Nguyen, TD Le… - …, 2021 - academic.oup.com
The development of new drugs is costly, time consuming and often accompanied with safety
issues. Drug repurposing can avoid the expensive and lengthy process of drug development …

Artificial intelligence, machine learning, and drug repurposing in cancer

Z Tanoli, M Vähä-Koskela… - Expert opinion on drug …, 2021 - Taylor & Francis
Introduction: Drug repurposing provides a cost-effective strategy to re-use approved drugs
for new medical indications. Several machine learning (ML) and artificial intelligence (AI) …

Machine learning and feature selection for drug response prediction in precision oncology applications

M Ali, T Aittokallio - Biophysical reviews, 2019 - Springer
In-depth modeling of the complex interplay among multiple omics data measured from
cancer cell lines or patient tumors is providing new opportunities toward identification of …

Leveraging multi-way interactions for systematic prediction of pre-clinical drug combination effects

H Julkunen, A Cichonska, P Gautam… - Nature …, 2020 - nature.com
We present comboFM, a machine learning framework for predicting the responses of drug
combinations in pre-clinical studies, such as those based on cell lines or patient-derived …

Gefa: early fusion approach in drug-target affinity prediction

TM Nguyen, T Nguyen, TM Le… - IEEE/ACM transactions on …, 2021 - ieeexplore.ieee.org
Predicting the interaction between a compound and a target is crucial for rapid drug
repurposing. Deep learning has been successfully applied in drug-target affinity (DTA) …

SAG-DTA: prediction of drug–target affinity using self-attention graph network

S Zhang, M Jiang, S Wang, X Wang, Z Wei… - International Journal of …, 2021 - mdpi.com
The prediction of drug–target affinity (DTA) is a crucial step for drug screening and
discovery. In this study, a new graph-based prediction model named SAG-DTA (self …

DeepGLSTM: deep graph convolutional network and LSTM based approach for predicting drug-target binding affinity

S Mukherjee, M Ghosh, P Basuchowdhuri - Proceedings of the 2022 SIAM …, 2022 - SIAM
Abstract Development of new drugs is an expensive and time-consuming process. Due to
the world-wide SARS-CoV-2 outbreak, it is essential that new drugs for SARS-CoV-2 are …

Medical decision support system for cancer treatment in precision medicine in developing countries

G Yu, Z Chen, J Wu, Y Tan - Expert Systems with Applications, 2021 - Elsevier
In many developing countries and regions, there are medical problems such as dense
populations, lack of medical resources, and shortage of doctors, making it impossible to …