AIMC Topic: Pharmacology

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Reduction of quantitative systems pharmacology models using artificial neural networks.

Journal of pharmacokinetics and pharmacodynamics
Quantitative systems pharmacology models are often highly complex and not amenable to further simulation and/or estimation analyses. Model-order reduction can be used to derive a mechanistically sound yet simpler model of the desired input-output rel...

Prediction of pharmacological activities from chemical structures with graph convolutional neural networks.

Scientific reports
Many therapeutic drugs are compounds that can be represented by simple chemical structures, which contain important determinants of affinity at the site of action. Recently, graph convolutional neural network (GCN) models have exhibited excellent res...

Modeling drug mechanism of action with large scale gene-expression profiles using GPAR, an artificial intelligence platform.

BMC bioinformatics
BACKGROUND: Querying drug-induced gene expression profiles with machine learning method is an effective way for revealing drug mechanism of actions (MOAs), which is strongly supported by the growth of large scale and high-throughput gene expression d...

Single-Cell Techniques and Deep Learning in Predicting Drug Response.

Trends in pharmacological sciences
Rapidly developing single-cell sequencing analyses produce more comprehensive profiles of the genomic, transcriptomic, and epigenomic heterogeneity of tumor subpopulations than do traditional bulk sequencing analyses. Moreover, single-cell techniques...

Advancing Drug Discovery via Artificial Intelligence.

Trends in pharmacological sciences
Drug discovery and development are among the most important translational science activities that contribute to human health and wellbeing. However, the development of a new drug is a very complex, expensive, and long process which typically costs 2....

Drug Repositioning by Integrating Known Disease-Gene and Drug-Target Associations in a Semi-supervised Learning Model.

Acta biotheoretica
Computational drug repositioning has been proven as a promising and efficient strategy for discovering new uses from existing drugs. To achieve this goal, a number of computational methods have been proposed, which are based on different data sources...

Identifying predictive features in drug response using machine learning: opportunities and challenges.

Annual review of pharmacology and toxicology
This article reviews several techniques from machine learning that can be used to study the problem of identifying a small number of features, from among tens of thousands of measured features, that can accurately predict a drug response. Prediction ...

Impact of pharmacology perception and learning strategies on academic achievement in undergraduate pharmacy students.

Scientific reports
Pharmacology is a cornerstone of pharmacy education, bridging biomedical sciences with clinical application. Understanding students' perceptions of pharmacology's relevance can influence their learning strategies and academic performance. Despite its...

Large-scale single-molecule imaging aided by artificial intelligence.

Microscopy (Oxford, England)
Single-molecule imaging analysis has been applied to study the dynamics and kinetics of molecular behaviors and interactions in living cells. In spite of its high potential as a technique to investigate the molecular mechanisms of cellular phenomena,...