Results 61 to 70 of about 1,051,632 (234)
Advanced Intelligent Discovery, EarlyView.Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova +4 more
wiley +1 more source
Chemical Graph Theory for Property Modeling in QSAR and QSPR—Charming QSAR & QSPR
Mathematics, 2020 Quantitative structure-activity relationship (QSAR) and Quantitative structure-property relationship (QSPR) are mathematical models for the prediction of the chemical, physical or biological properties of chemical compounds.
Paulo C. S. Costa +3 more
doaj +1 more source
Autonomous AI‐Driven Design for Skin Product Formulations
Advanced Intelligent Discovery, EarlyView.This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang +5 more
wiley +1 more source
Acquisition, Modélisation, Préservation, Usages, ... des données 3D: les challenges du Consortium 3D SHS [PDF]
, 2020 "Le Consortium 3D SHS, labellisé en 2014 puis en 2018 par la TGIR Huma-Num, a pour vocation de fédérer les initiatives foisonnantes autour de la 3D pour les Sciences Humaines et Sociales pour définir des standards et des recommandations d'usage ainsi que
Consortium 3D SHS Team
core
Docking and 3D QSAR Studies on p38α MAP Kinase Inhibitors
E-Journal of Chemistry, 2011 The p38 signaling cascade has emerged as an attractive target for the design of novel chemotherapeutic agents for the treatment of inflammatory diseases.
Mohan Babu Jatavath +3 more
doaj +1 more source
Scientific Reports, 2021 Aurora kinase B plays an important role in the cell cycle to orchestrate the mitotic process. The amplification and overexpression of this kinase have been implicated in several human malignancies.
Sajda Ashraf +4 more
doaj +1 more source
The Canadian Journal of Chemical Engineering, EarlyView.Schematic representation of artificial intelligence approaches in enzyme catalysis, integrating bibliometric analysis, emerging research trends, and machine learning tools for enzyme design, prediction, and industrial biocatalytic applications. Abstract This study systematically explores the applications of artificial intelligence (AI) in enzyme ...
Misael Bessa Sales +6 more
wiley +1 more source
3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ligands [PDF]
, 2013 3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ...
Jun-Zhi Wang +4 more
core
Les rencontres du Consortium 3D SHS Création -Usage scientifique - Conservation des données 3D [PDF]
, 2020 La multiplication des initiatives autour de la création, des usages et de la conservation des données 3D dans les sciences humaines et sociales montrent une réelle nécessité de se coordonner afin de définir des standards dans les usages, les ...
Consortium 3D SHS Team
core
N-Phenyl-3-sulfamoyl-benzamide derivatives as anti-hepatitis B virus agent candidates. Integrated computational studies [PDF]
Journal of the Serbian Chemical SocietyThis study used a combined approach of atom-based 3D-QSAR modeling and molecular docking to investigate 44 N-phenyl-3-sulfamoyl-benzamide derivatives as potential inhibitors of the hepatitis B virus (HBV).
Laoud Aicha +2 more
doaj +1 more source