AIMC Topic: Pharmacology, Clinical

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Predicting drug-drug interactions using multi-modal deep auto-encoders based network embedding and positive-unlabeled learning.

Methods (San Diego, Calif.)
Drug-drug interactions (DDIs) are crucial for public health and patient safety, which has aroused widespread concern in academia and industry. The existing computational DDI prediction methods are mainly divided into four categories: literature extra...

TOP: A deep mixture representation learning method for boosting molecular toxicity prediction.

Methods (San Diego, Calif.)
At the early stages of the drug discovery, molecule toxicity prediction is crucial to excluding drug candidates that are likely to fail in clinical trials. In this paper, we presented a novel molecular representation method and developed a correspond...

The message passing neural networks for chemical property prediction on SMILES.

Methods (San Diego, Calif.)
Drug metabolism is determined by the biochemical and physiological properties of the drug molecule. To improve the performance of a drug property prediction model, it is important to extract complex molecular dynamics from limited data. Recent machin...

An Introduction to Machine Learning.

Clinical pharmacology and therapeutics
In the last few years, machine learning (ML) and artificial intelligence have seen a new wave of publicity fueled by the huge and ever-increasing amount of data and computational power as well as the discovery of improved learning algorithms. However...

Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?

Clinical pharmacology and therapeutics
As the field of artificial intelligence and machine learning (AI/ML) for drug discovery is rapidly advancing, we address the question "What is the impact of recent AI/ML trends in the area of Clinical Pharmacology?" We address difficulties and AI/ML ...

Model-Informed Artificial Intelligence: Reinforcement Learning for Precision Dosing.

Clinical pharmacology and therapeutics
The availability of multidimensional data together with the development of modern techniques for data analysis represent an exceptional opportunity for clinical pharmacology. Data science-defined in this special issue as the novel approaches to the c...

Pharmacometrics and Machine Learning Partner to Advance Clinical Data Analysis.

Clinical pharmacology and therapeutics
Clinical pharmacology is a multidisciplinary data sciences field that utilizes mathematical and statistical methods to generate maximal knowledge from data. Pharmacometrics (PMX) is a well-recognized tool to characterize disease progression, pharmaco...

Scientific and Regulatory Considerations for an Ontogeny Knowledge Base for Pediatric Clinical Pharmacology.

Clinical pharmacology and therapeutics
Understanding all aspects of developmental biology, or pediatric ontogeny, that affect drug therapy from the fetus to the adolescent child is the holy grail of pediatric scientists and clinical pharmacologists. The scientific community is now close t...

Models and Machines: How Deep Learning Will Take Clinical Pharmacology to the Next Level.

CPT: pharmacometrics & systems pharmacology
Recent advances in machine learning (ML) have led to enthusiasm about its use throughout the biopharmaceutical industry. The ML methods can be applied to a wide range of problems and have the potential to revolutionize aspects of drug development. Th...