AIMC Topic: Drug Development

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Editorial: Artificial intelligence in drug discovery and development.

Methods (San Diego, Calif.) Apr 4, 2024
Drug Discovery Drug Development Humans Artificial Intelligence
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Towards explainable interaction prediction: Embedding biological hierarchies into hyperbolic interaction space.

PloS one Mar 21, 2024
Given the prolonged timelines and high costs associated with traditional approaches, accelerating drug development is crucial. Computational methods, particularly drug-target interaction prediction, have emerged as efficient tools, yet the explainabi...
Proteins Drug Discovery Machine Learning Drug Development
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Predictive Modelling in pharmacokinetics: from in-silico simulations to personalized medicine.

Expert opinion on drug metabolism & toxicology Mar 20, 2024
INTRODUCTION: Pharmacokinetic parameters assessment is a critical aspect of drug discovery and development, yet challenges persist due to limited training data. Despite advancements in machine learning and in-silico predictions, scarcity of data hamp...
Precision Medicine Reproducibility of Results Machine Learning Computer Simulation Pharmacogenetics Drug Development Drug Design Drug Discovery Humans Artificial Intelligence Models, Biological Models, Molecular Pharmacokinetics Pharmaceutical Preparations
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Deep-NCA: A deep learning methodology for performing noncompartmental analysis of pharmacokinetic data.

CPT: pharmacometrics & systems pharmacology Mar 11, 2024
Noncompartmental analysis (NCA) is a model-independent approach for assessing pharmacokinetics (PKs). Although the existing NCA algorithms are very well-established and widely utilized, they suffer from low accuracies in the setting of sparse PK samp...
Humans Models, Biological Algorithms Pharmacokinetics Computer Simulation Drug Development Deep Learning Pharmaceutical Preparations
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Drug target prediction through deep learning functional representation of gene signatures.

Nature communications Feb 29, 2024
Many machine learning applications in bioinformatics currently rely on matching gene identities when analyzing input gene signatures and fail to take advantage of preexisting knowledge about gene functions. To further enable comparative analysis of O...
Humans Computational Biology Drug Development Machine Learning Deep Learning
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Transforming drug development with synthetic biology and AI.

Trends in biotechnology Feb 20, 2024
The COVID-19 pandemic has thrust RNA as a platform for drug development into the spotlight. However, identifying promising drug candidates is challenging. With advances in synthetic biology and artificial intelligence (AI) models, we can overcome thi...
Humans SARS-CoV-2 Pandemics Artificial Intelligence Drug Development COVID-19 Drug Treatment COVID-19 Synthetic Biology
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Where Might Artificial Intelligence Be Going in Pharmaceutical Development?

Molecular pharmaceutics Feb 20, 2024
Drug Development Artificial Intelligence Algorithms
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Deep learning for advancing peptide drug development: Tools and methods in structure prediction and design.

European journal of medicinal chemistry Feb 19, 2024
Peptides can bind challenging disease targets with high affinity and specificity, offering enormous opportunities for addressing unmet medical needs. However, peptides' unique features, including smaller size, increased structural flexibility, and li...
Technology Peptides Structure-Activity Relationship Deep Learning Drug Development
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Computational drug development for membrane protein targets.

Nature biotechnology Feb 15, 2024
The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine ...
Computational Biology Membrane Proteins Drug Development Cryoelectron Microscopy Machine Learning
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Potential of Artificial Intelligence to Accelerate Drug Development for Rare Diseases.

Pharmaceutical medicine Feb 5, 2024
The growth in breadth and depth of artificial intelligence (AI) applications has been fast, running hand in hand with the increasing amount of digital data available. Here, we comment on the application of AI in the field of drug development, with a ...
Drug Development Rare Diseases Artificial Intelligence Drug Discovery Humans
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