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Drug Development

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Leveraging large language models to compare perspectives on integrating QSP and AI/ML.

Journal of pharmacokinetics and pharmacodynamics
Two recent papers offer contrasting perspectives on integrating Quantitative Systems Pharmacology (QSP) and Artificial Intelligence/Machine Learning (AI/ML): one views QSP as the primary driver using AI/ML to enhance computational tasks, while the ot...

Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design.

Expert opinion on drug discovery
INTRODUCTION: Drug-metabolizing enzymes (DMEs) and transporters (DTs) play integral roles in drug metabolism and drug-drug interactions (DDIs) which directly impact drug efficacy and safety. It is well-established that inhibition of DMEs and DTs ofte...

Future prospective of AI in drug discovery.

Advances in pharmacology (San Diego, Calif.)
Drug discovery and development is very expensive and long with an inferior success rate. It is quite inefficient and costly due to huge R&D costs and lower productivity in pharmaceutical industries, to discover effective drugs and their development. ...

Deep learning: A game changer in drug design and development.

Advances in pharmacology (San Diego, Calif.)
The lengthy and costly drug discovery process is transformed by deep learning, a subfield of artificial intelligence. Deep learning technologies expedite the procedure, increasing treatment success rates and speeding life-saving procedures. Deep lear...

Addressing Imbalanced Classification Problems in Drug Discovery and Development Using Random Forest, Support Vector Machine, AutoGluon-Tabular, and H2O AutoML.

Journal of chemical information and modeling
The classification models built on class imbalanced data sets tend to prioritize the accuracy of the majority class, and thus, the minority class generally has a higher misclassification rate. Different techniques are available to address the class i...

AI-Driven Applications in Clinical Pharmacology and Translational Science: Insights From the ASCPT 2024 AI Preconference.

Clinical and translational science
Artificial intelligence (AI) is driving innovation in clinical pharmacology and translational science with tools to advance drug development, clinical trials, and patient care. This review summarizes the key takeaways from the AI preconference at the...

AI drug development's data problem.

Science (New York, N.Y.)
The future of drug discovery may be artificial intelligence (AI), but its present is not. AI is in its infancy in the field. To help AI mature, developers need nonproprietary, open, large, high-quality datasets to train and validate models, managed b...

Combining High-Throughput Screening and Machine Learning to Predict the Formation of Both Binary and Ternary Amorphous Solid Dispersion Formulations for Early Drug Discovery and Development.

Pharmaceutical research
OBJECTIVE: Amorphous solid dispersion (ASD) is widely utilized to enhance the solubility and bioavailability of water-insoluble drugs. However, conventional experimental approaches for ASD development are often resource-intensive and time-consuming. ...

Accelerating high-concentration monoclonal antibody development with large-scale viscosity data and ensemble deep learning.

mAbs
Highly concentrated antibody solutions are necessary for developing subcutaneous injections but often exhibit high viscosities, posing challenges in antibody-drug development, manufacturing, and administration. Previous computational models were only...

The Role of Artificial Intelligence in Drug Discovery and Pharmaceutical Development: A Paradigm Shift in the History of Pharmaceutical Industries.

AAPS PharmSciTech
In today's world, with an increasing patient population, the need for medications is increasing rapidly. However, the current practice of drug development is time-consuming and requires a lot of investment by the pharmaceutical industries. Currently,...