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Drug Development

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Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method.

Molecules (Basel, Switzerland)
Identification of drug-target interactions (DTIs) is vital for drug discovery. However, traditional biological approaches have some unavoidable shortcomings, such as being time consuming and expensive. Therefore, there is an urgent need to develop no...

LUNAR :Drug Screening for Novel Coronavirus Based on Representation Learning Graph Convolutional Network.

IEEE/ACM transactions on computational biology and bioinformatics
An outbreak of COVID-19 that began in late 2019 was caused by a novel coronavirus(SARS-CoV-2). It has become a global pandemic. As of June 9, 2020, it has infected nearly 7 million people and killed more than 400,000, but there is no specific drug. T...

KenDTI: An Ensemble Model for Predicting Drug-Target Interaction by Integrating Multi-Source Information.

IEEE/ACM transactions on computational biology and bioinformatics
The identification of drug-target interactions (DTIs) is an essential step in the process of drug discovery. As experimental validation suffers from high cost and low success rate, various computational models have been exploited to infer potential D...

A Convolutional Neural Network System to Discriminate Drug-Target Interactions.

IEEE/ACM transactions on computational biology and bioinformatics
Biological targets are most commonly proteins such as enzymes, ion channels, and receptors. They are anything within a living organism to bind with some other entities (like an endogenous ligand or a drug), resulting in change in their behaviors or f...

Artificial intelligence-driven phenotyping of zebrafish psychoactive drug responses.

Progress in neuro-psychopharmacology & biological psychiatry
Zebrafish (Danio rerio) are rapidly emerging in biomedicine as promising tools for disease modelling and drug discovery. The use of zebrafish for neuroscience research is also growing rapidly, necessitating novel reliable and unbiased methods of neur...

Logistic matrix factorisation and generative adversarial neural network-based method for predicting drug-target interactions.

Molecular diversity
Identifying drug-target protein association pairs is a prerequisite and a crucial task in drug discovery and development. Numerous computational models, based on different assumptions and algorithms, have been proposed as an alternative to the labori...

Future of machine learning in paediatrics.

Archives of disease in childhood
Machine learning (ML) is a branch of artificial intelligence (AI) that enables computers to learn without being explicitly programmed, through a combination of statistics and computer science. It encompasses a variety of techniques used to analyse an...

Recent trends in artificial intelligence-driven identification and development of anti-neurodegenerative therapeutic agents.

Molecular diversity
Neurological disorders affect various aspects of life. Finding drugs for the central nervous system is a very challenging and complex task due to the involvement of the blood-brain barrier, P-glycoprotein, and the drug's high attrition rates. The ava...

AI in drug development: a multidisciplinary perspective.

Molecular diversity
The introduction of a new drug to the commercial market follows a complex and long process that typically spans over several years and entails large monetary costs due to a high attrition rate. Because of this, there is an urgent need to improve this...

Artificial intelligence and the future of life sciences.

Drug discovery today
Over the past few decades, the number of health and 'omics-related data' generated and stored has grown exponentially. Patient information can be collected in real time and explored using various artificial intelligence (AI) tools in clinical trials;...