The classification codes granted by patent offices are useful instruments for simplifying the bewildering variety of patents in existence. They are singularly unhelpful, however, in locating a specific subgroup of patents such as that of drug-related...
Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences
Nov 30, 2024
Artificial intelligence (AI) is a technology that combines machine learning (ML) and deep learning. It has numerous usages in the domains of medicine and other sciences. Artificial intelligence can forecast the behavior of a drug's target protein and...
Journal of chemical information and modeling
Nov 18, 2024
The blood-brain barrier (BBB) selectively regulates the passage of chemical compounds into and out of the central nervous system (CNS). As such, understanding the permeability of drug molecules through the BBB is key to treating neurological diseases...
Accurate identification of drug-target interactions (DTIs) plays a crucial role in drug discovery. Compared with traditional experimental methods that are labor-intensive and time-consuming, computational methods for drug-target interactions predicti...
BACKGROUND: Multiple studies have aimed to consolidate drug-related data and predict drug effects. However, most of these studies have focused on integrating diverse data through correlation rather than representing them based on the pharmacodynamic ...
Specifying and interpreting the occurrence of emerging pollutants is essential for assessing treatment processes and plants, conducting wastewater-based epidemiology, and advancing environmental toxicology research. In recent years, artificial intell...
Journal of bioinformatics and computational biology
Nov 11, 2024
In the drug discovery process, accurate prediction of drug-target interactions is crucial to accelerate the development of new drugs. However, existing methods still face many challenges in dealing with complex biomolecular interactions. To this end,...
After initial triaging using in vitro absorption, distribution, metabolism, and excretion (ADME) assays, pharmacokinetic (PK) studies are the first application of promising drug candidates in living mammals. Preclinical PK studies characterize the ev...
International journal of molecular sciences
Nov 3, 2024
Existing deep learning methods have shown outstanding performance in predicting drug-target interactions. However, they still have limitations: (1) the over-reliance on locally extracted features by some single encoders, with insufficient considerati...
Journal of chemical information and modeling
Oct 30, 2024
The Co-administration of multiple drugs can enhance the efficacy of disease treatment by reducing drug resistance and side effects. However, it also raises the risk of adverse drug interactions, presenting a challenging problem in healthcare. Various...
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