AIMC Topic: Software

Clear Filters Showing 3041 to 3050 of 3675 articles

DD-GUI: a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking).

Bioinformatics (Oxford, England)
SUMMARY: Deep learning (DL) can significantly accelerate virtual screening of ultra-large chemical libraries, enabling the evaluation of billions of compounds at a fraction of the computational cost and time required by conventional docking. Here, we...

Accelerating bioactive peptide discovery via mutual information-based meta-learning.

Briefings in bioinformatics
Recently, machine learning methods have been developed to identify various peptide bio-activities. However, due to the lack of experimentally validated peptides, machine learning methods cannot provide a sufficiently trained model, easily resulting i...

EGFI: drug-drug interaction extraction and generation with fusion of enriched entity and sentence information.

Briefings in bioinformatics
MOTIVATION: The rapid growth in literature accumulates diverse and yet comprehensive biomedical knowledge hidden to be mined such as drug interactions. However, it is difficult to extract the heterogeneous knowledge to retrieve or even discover the l...

A similarity-based deep learning approach for determining the frequencies of drug side effects.

Briefings in bioinformatics
The side effects of drugs present growing concern attention in the healthcare system. Accurately identifying the side effects of drugs is very important for drug development and risk assessment. Some computational models have been developed to predic...

MDF-SA-DDI: predicting drug-drug interaction events based on multi-source drug fusion, multi-source feature fusion and transformer self-attention mechanism.

Briefings in bioinformatics
One of the main problems with the joint use of multiple drugs is that it may cause adverse drug interactions and side effects that damage the body. Therefore, it is important to predict potential drug interactions. However, most of the available pred...

An overview of machine learning methods for monotherapy drug response prediction.

Briefings in bioinformatics
For an increasing number of preclinical samples, both detailed molecular profiles and their responses to various drugs are becoming available. Efforts to understand, and predict, drug responses in a data-driven manner have led to a proliferation of m...

Comparative analysis of machine learning-based approaches for identifying therapeutic peptides targeting SARS-CoV-2.

Briefings in bioinformatics
Coronavirus disease 2019 (COVID-19) has impacted public health as well as societal and economic well-being. In the last two decades, various prediction algorithms and tools have been developed for predicting antiviral peptides (AVPs). The current COV...

DeepDDS: deep graph neural network with attention mechanism to predict synergistic drug combinations.

Briefings in bioinformatics
MOTIVATION: Drug combination therapy has become an increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab experime...

DeepLncLoc: a deep learning framework for long non-coding RNA subcellular localization prediction based on subsequence embedding.

Briefings in bioinformatics
Long non-coding RNAs (lncRNAs) are a class of RNA molecules with more than 200 nucleotides. A growing amount of evidence reveals that subcellular localization of lncRNAs can provide valuable insights into their biological functions. Existing computat...

Hazards for the Implementation and Use of Artificial Intelligence Enabled Digital Health Interventions, a UK Perspective.

Studies in health technology and informatics
BACKGROUND: Artificial Intelligence (AI) has seen an increased application within digital healthcare interventions (DHIs). DHIs use entails challenges about their safety assurance. Exacerbated by regulatory requirements, in the UK, this places the on...