Following a proof-of-concept presentation on dual-use artificial intelligence (AI) in drug discovery by Collaborations Pharmaceuticals Inc. to the Swiss Federal Institute for NBC-Protection, we explored how a generative algorithm could develop the ne...
INTRODUCTION: Deep learning approaches have become popular in recent years in de novo drug design. Generative models for molecule generation and optimization have shown promising results. Molecules trained on different chemical data could regenerate ...
International journal of molecular sciences
Oct 14, 2022
Medical discoveries mainly depend on the capability to process and analyze biological datasets, which inundate the scientific community and are still expanding as the cost of next-generation sequencing technologies is decreasing. Deep learning (DL) i...
CPT: pharmacometrics & systems pharmacology
Oct 12, 2022
The gold-standard approach for modeling pharmacokinetic mediated drug-drug interactions is the use of physiologically-based pharmacokinetic modeling and population pharmacokinetics. However, these models require extensive amounts of drug-specific dat...
IEEE/ACM transactions on computational biology and bioinformatics
Oct 10, 2022
Identification of drug-target interaction (DTI) is the most important issue in the broad field of drug discovery. Using purely biological experiments to verify drug-target binding profiles takes lots of time and effort, so computational technologies ...
Ever Since, pharmaceutical companies are facing challenges to develop new drug products faster and economical with good quality, safety and efficacy. The advent of Artificial intelligence (AI) with computational technology empowers scientists, impact...
IEEE journal of biomedical and health informatics
Oct 4, 2022
Studying the deep learning-based molecular representation has great significance on predicting molecular property, promoted the development of drug screening and new drug discovery, and improving human well-being for avoiding illnesses. It is essenti...
Artificial intelligence (AI) is a rapidly growing discipline in the field of chemical toxicology. Herein, we provide a broad overview of research presented at the Fall 2022 American Chemical Society meeting, highlighting how AI is being applied acros...
Drug repurposing in the context of neuroimmunological (NI) investigations is still in its primary stages. Drug repurposing is an important method that bypasses lengthy drug discovery procedures and focuses on discovering new usages for known medicati...
In the early stages of drug discovery, various experimental and computational methods are used to measure the specificity of small molecules against a target protein. The selectivity of small molecules remains a challenge leading to off-target side ...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.