Journal of the American Chemical Society
Feb 21, 2020
This report describes the first application of the novel NMR-based machine learning tool "Small Molecule Accurate Recognition Technology" (SMART 2.0) for mixture analysis and subsequent accelerated discovery and characterization of new natural produc...
International journal of environmental research and public health
Jan 23, 2020
Natural products are the most important and commonly used in Traditional Chinese Medicine (TCM) for healthcare and disease prevention in East-Asia. Although the Meridian system of TCM was established several thousand years ago, the rationale of Merid...
Machine learning-based similarity analysis is commonly found in many artificial intelligence applications like the one utilized in e-commerce and digital marketing. In this study, a kNN-based (k-nearest neighbors) similarity method is proposed for ra...
BACKGROUND: The response to treatment for juvenile idiopathic arthritis (JIA) can be staged using clinical features. However, objective laboratory biomarkers of remission are still lacking. In this study, we used machine learning to predict JIA activ...
During the systematic screening of bioactive compounds from our marine natural product library, crude extract of the marine-derived fungus strain MF029 exhibited moderate bioactivities against , S, methicillin-resistant , and bacillus Calmette-Guér...
A virtual screening protocol based on machine learning models was used to identify mimetics of the natural product (-)-galantamine. This fully automated approach identified eight compounds with bioactivities on at least one of the macromolecular targ...
Increasing apolipoprotein A-I (apoA-I), the predominant protein of high-density lipoprotein (HDL) particles, has favorable effects on atherogenic risk factors. Here, we investigated the effects of peroxisome proliferator-activated receptor α (PPARα) ...
Natural products (NPs) remain the most prolific resource for the development of smallmolecule drugs. Here we report a new machine learning approach that allows the identification of natural products with high accuracy. The method also generates simil...
Increasing reports of infectious diseases worldwide have become a global concern in recent times. Depleted antibiotic pipelines, rapid and complex cases of antimicrobial resistance, and emergence and re-emergence of infectious disease have necessitat...
In view of the vast number of natural products with potential antiplasmodial bioactivity and cost of conducting antiplasmodial bioactivity assays, it may be judicious to learn from previous antiplasmodial bioassays and predict bioactivity of these na...