AIMC Topic: Drug Discovery

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Tripartite Network-Based Repurposing Method Using Deep Learning to Compute Similarities for Drug-Target Prediction.

Methods in molecular biology (Clifton, N.J.)
The drug discovery process is conventionally regarded as resource intensive and complex. Therefore, research effort has been put into a process called drug repositioning with the use of computational methods. Similarity-based methods are common in pr...

A Drug-Target Network-Based Supervised Machine Learning Repurposing Method Allowing the Use of Multiple Heterogeneous Information Sources.

Methods in molecular biology (Clifton, N.J.)
Drug-target networks have an important role in pharmaceutical innovation, drug lead discovery, and recent drug repositioning tasks. Many different in silico approaches for the identification of new drug-target interactions have been proposed, many of...

Computational Prediction of Drug-Target Interactions via Ensemble Learning.

Methods in molecular biology (Clifton, N.J.)
Therapeutic effects of drugs are mediated via interactions between them and their intended targets. As such, prediction of drug-target interactions is of great importance. Drug-target interaction prediction is especially relevant in the case of drug ...

Virtual Screening Meets Deep Learning.

Current computer-aided drug design
BACKGROUND: Automated compound testing is currently the de facto standard method for drug screening, but it has not brought the great increase in the number of new drugs that was expected. Computer- aided compounds search, known as Virtual Screening,...

Recent Advances in the Machine Learning-Based Drug-Target Interaction Prediction.

Current drug metabolism
BACKGROUND: The identification of drug-target interactions is a crucial issue in drug discovery. In recent years, researchers have made great efforts on the drug-target interaction predictions, and developed databases, software and computational meth...

Survey of Machine Learning Techniques in Drug Discovery.

Current drug metabolism
BACKGROUND: Drug discovery, which is the process of discovering new candidate medications, is very important for pharmaceutical industries. At its current stage, discovering new drugs is still a very expensive and time-consuming process, requiring Ph...

The Application of Machine Learning Techniques in Clinical Drug Therapy.

Current computer-aided drug design
INTRODUCTION: The development of a novel drug is an extremely complicated process that includes the target identification, design and manufacture, and proper therapy of the novel drug, as well as drug dose selection, drug efficacy evaluation, and adv...