AIMC Topic: Drug Discovery

Clear Filters Showing 631 to 640 of 1550 articles

Deep generative molecular design reshapes drug discovery.

Cell reports. Medicine Oct 27, 2022
Recent advances and accomplishments of artificial intelligence (AI) and deep generative models have established their usefulness in medicinal applications, especially in drug discovery and development. To correctly apply AI, the developer and user fa...
Artificial Intelligence Drug Discovery
View on PubMed DOI

Addressing Noise and Estimating Uncertainty in Biomedical Data through the Exploration of Chemical Space.

International journal of molecular sciences Oct 26, 2022
Noise is a basic ingredient in data, since observed data are always contaminated by unwanted deviations, i.e., noise, which, in the case of overdetermined systems (with more data than model parameters), cause the corresponding linear system of equati...
Artificial Intelligence Phenotype Drug Discovery Drug Repositioning Uncertainty
View on PubMed DOI

Introduction to the Theme "Development of New Drugs: Moving from the Bench to Bedside and Improved Patient Care".

Annual review of pharmacology and toxicology Oct 21, 2022
Investigations in pharmacology and toxicology range from molecular studies to clinical care. Studies in basic and clinical pharmacology and in preclinical and clinical toxicology are all essential in bringing new knowledge and new drugs into clinical...
Humans Artificial Intelligence Animals Drug Discovery Pharmacogenetics Pharmaceutical Preparations Zebrafish
View on PubMed DOI

AI in drug discovery: A wake-up call.

Drug discovery today Oct 18, 2022
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...
Artificial Intelligence Drug Discovery
View on PubMed DOI

Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?

Expert opinion on drug discovery Oct 17, 2022
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 ...
Humans Neural Networks, Computer Drug Design Drug Discovery Molecular Structure
View on PubMed DOI

Omics Data and Data Representations for Deep Learning-Based Predictive Modeling.

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...
Drug Discovery Deep Learning Biotechnology
View on PubMed DOI

Comparing the applications of machine learning, PBPK, and population pharmacokinetic models in pharmacokinetic drug-drug interaction prediction.

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...
Humans Machine Learning Drug Discovery Models, Biological Drug Interactions Pharmacokinetics
View on PubMed DOI

DeepFusionDTA: Drug-Target Binding Affinity Prediction With Information Fusion and Hybrid Deep-Learning Ensemble Model.

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 ...
Neural Networks, Computer Drug Discovery Deep Learning Drug Development Proteins
View on PubMed DOI

Advancing health care via artificial intelligence: From concept to clinic.

European journal of pharmacology Oct 8, 2022
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...
Humans Artificial Intelligence Delivery of Health Care Drug Discovery Pharmaceutical Preparations
View on PubMed DOI

3DMol-Net: Learn 3D Molecular Representation Using Adaptive Graph Convolutional Network Based on Rotation Invariance.

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...
Humans Neural Networks, Computer Drug Discovery Rotation
View on PubMed DOI
Popular Topics
Recent Journals