AIMC Topic: Chemical Phenomena

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Refining in silico simulation to study digestion parameters affecting the bioaccessibility of lipophilic nutrients and micronutrients.

Food & function Oct 23, 2014
Despite the considerable number of in vivo and in vitro studies on the digestive fate of lipophilic nutrients, micronutrients, and bioactives, the effects of the structure and composition of foods on the physicochemical mechanisms of luminal digestio...
Gastric Juice Triolein Dietary Fats Caprylates Solubility Vitamin A Hydrophobic and Hydrophilic Interactions Food Analysis Computer Simulation Models, Biological Animals Computational Biology Humans Viscosity Chemical Phenomena Triglycerides Digestion Intestinal Absorption Expert Systems Lipolysis Bile Acids and Salts
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Impact of Tagatose on Physicochemical, Nutritional, and In Vitro Digestive Properties of Toast Bread.

Journal of food science May 1, 2025
It is more attractive to develop effective strategies to reduce sugar intake without compromising food quality with the rising prevalence of obesity and diabetes around the world. Due to its high cost, tagatose has not been widely adopted as a sucros...
Digestion Spectroscopy, Fourier Transform Infrared Sucrose Bread Nutritive Value Gas Chromatography-Mass Spectrometry Chemical Phenomena Hexoses Humans Taste Rheology
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De novo generation of dual-target ligands using adversarial training and reinforcement learning.

Briefings in bioinformatics Nov 5, 2021
Artificial intelligence, such as deep generative methods, represents a promising solution to de novo design of molecules with the desired properties. However, generating new molecules with biological activities toward two specific targets remains an ...
Deep Learning Proteins Drug Design Drug Discovery Artificial Intelligence Algorithms Chemical Phenomena Structure-Activity Relationship Biomarkers Databases, Pharmaceutical Ligands
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The "OK, Molly" Chemistry.

Accounts of chemical research Mar 21, 2017
One day in the near future, Molly, an artificially intelligent assistant, will be able to answer almost any questions in chemistry and related disciplines. It will have a major impact on the way we perform research, education, and public outreach.
Chemical Phenomena User-Computer Interface Internet Artificial Intelligence
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Artificial neural network analysis for predicting human percutaneous absorption taking account of vehicle properties.

The Journal of toxicological sciences Apr 1, 2015
An in silico method for predicting percutaneous absorption of cosmetic ingredients was developed by using artificial neural network (ANN) analysis to predict the human skin permeability coefficient (log Kp), taking account of the physicochemical prop...
Predictive Value of Tests Cosmetics Time Factors Skin Absorption Pharmaceutical Vehicles Molecular Weight Chemical Phenomena Humans Neural Networks, Computer Computer Simulation Risk Assessment
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