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...
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...
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...
Clinical pharmacology and therapeutics
Mar 3, 2020
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...
Clinical pharmacology and therapeutics
Mar 3, 2020
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 ...
Clinical pharmacology and therapeutics
Feb 23, 2020
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...
Clinical pharmacology and therapeutics
Feb 17, 2020
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...
Clinical pharmacology and therapeutics
Jan 26, 2020
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...
CPT: pharmacometrics & systems pharmacology
Feb 3, 2019
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...
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