Results 91 to 100 of about 31,763 (232)

Artificial intelligence in preclinical epilepsy research: Current state, potential, and challenges

Epilepsia Open, EarlyView.
Abstract Preclinical translational epilepsy research uses animal models to better understand the mechanisms underlying epilepsy and its comorbidities, as well as to analyze and develop potential treatments that may mitigate this neurological disorder and its associated conditions. Artificial intelligence (AI) has emerged as a transformative tool across
Jesús Servando Medel‐Matus, Cesar Santana‐Gomez, Ruby G. Escalante, Dominique Duncan, Pedro F. Viana, Giulia Sofia Cereda, Naoto Kuroda, Aristea S. Galanopoulou   +7 more
wiley   +1 more source

QSAR models for antioxidant activity of new coumarin derivatives [PDF]

, 2015
This study presents 37 new antioxidant coumarin derivatives and strategies for structural modification to improve their antioxidant activities, the main ferric-reducing antioxidant power (FRAP) assay used to evaluate their antioxidant properties and the ...

core   +1 more source

Artificial Intelligence-enabled cheminformatics approaches in Ayurveda-based drug discovery

International Journal of Ayurveda Research
Ayurveda contains a vast and diverse collection of botanicals, minerals, and classical formulations. Each Ayurvedic medicine often includes multiple components that act together on different biological pathways. This holistic approach naturally fits with
Aviral Apurva, Abhimanyu Kumar
doaj   +1 more source

Rewiring nutrition: Chemical insights into the physiological and microbiological roles of food's microconstituents

Food Biomacromolecules, EarlyView.
Bidirectional interactions between food‐derived sensory compounds, gut sensing and microbiota, host physiological feedback, and metabolite production within the food matrix collectively shape sensory perception, microbial dynamics, and metabolic health.
Mohammad Nazrul Islam Bhuiyan
wiley   +1 more source

Ampliação e aplicação do método semi-empírico topológico (IET) em modelos QSRR/QSPR/QSAR para compostos alifáticos halogenados e cicloalcanos [PDF]

, 2008
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Química.Este estudo foi desenvolvido para avaliar a capacidade de prognóstico do índice semi-empírico topológico (IET) em ...
Arruda, Anna Celia
core  

Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005. [PDF]

, 2020
The purpose of the analyses presented in this report was to contribute to an evaluation of the possibility of using QSAR predictions for regulatory purposes. To this end QSAR predictions were compared with SIDS test data.

core   +1 more source

A Comprehensive Study to Compare Different Compound Representations for Predicting Carcinogenicity In Vivo

Journal of Applied Toxicology, EarlyView.
ABSTRACT Carcinogenicity evaluation is a critical component of chemical risk assessment, yet traditional in vivo testing remains time consuming, costly, and ethically challenging. Computational approaches based on machine learning offer promising alternatives, but the relative contributions of different molecular representation strategies for ...
Iuri Barbosa Pereira, Rogerio Salvini, Eloisa Dutra Caldas   +2 more
wiley   +1 more source

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni. [PDF]

, 2016
Schistosomiasis is a neglected tropical disease that affects millions of people worldwide. Thioredoxin glutathione reductase of Schistosoma mansoni (SmTGR) is a validated drug target that plays a crucial role in the redox homeostasis of the parasite.
Silva-Junior, Floriano P, Chaves, Willian T., Silva.Junior, Floriano P., Valente, Walter C. G., Braga, Rodolpho C., Braga, Rodolpho C, Senger, Mario R., Dantas, Rafael F, Cleber C. Melo-Filho (2831549), Walter C. G. Valente, Cleber C. Melo-Filho, Muratov, Eugene N., Rafael F. Dantas (2831552), Neves, Bruno J., Muratov, Eugene N, Bruno J. Neves, Chaves, Willian T, Willian T. Chaves, Kamentsky, Lee, Ross A. Paveley (146889), Floriano P. Silva-Junior (2831558), Carolina H. Andrade (682300), Andrade, Carolina H., Rafael F. Dantas, Melo Filho, Cleber C., Neves, Bruno J, Bruno J. Neves (682296), Carpenter, Anne E, Mario R. Senger, Rodolpho C. Braga (682297), Nicholas Furnham, Eugene N. Muratov (1416049), Rezende-Neto, Joao M., Furnham, Nicholas, Nicholas Furnham (44207), Dantas, Rafael F., Willian T. Chaves (2831555), Rodolpho C. Braga, Floriano P. Silva-Junior, Carpenter, Anne E., Silva-Junior, Floriano P., Paveley, Ross A., Ross A. Paveley, Melo-Filho, Cleber C., Anne E. Carpenter (174735), Anne E. Carpenter, João M. Rezende-Neto (2831567), Rezende.Neto, João M., Mario R. Senger (2831546), Paveley, Ross A, Andrade, Carolina H, Lee Kamentsky, Melo-Filho, Cleber C, Valente, Walter CG, Senger, Mario R, João M. Rezende-Neto, Carolina H. Andrade, Rezende-Neto, João M, Lee Kamentsky (2831564), Eugene N. Muratov, Walter C. G. Valente (2831561)   +60 more
core   +1 more source

Intelligent design of artificial biocatalyst for biomedical diseases

Journal of Intelligent Medicine, EarlyView.
This review summarizes recent advances in the intelligent design of artificial biocatalysts for biomedical diseases. By leveraging tailored design strategies, including environment‐responsive engineering and rational/artificial intelligence‐aided optimization, these biocatalysts enable precise modulation of pathological microenvironments and targeted ...
Lijie Zhang, Nan Song, Huanhuan Qiao, Si Sun   +3 more
wiley   +1 more source

Bio‐guided fractionation of (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid from Abelmoschus sagittifolius root as a potent α‐glucosidase inhibitor: An integrated in vitro and in silico study

Journal of the Science of Food and Agriculture, EarlyView.
Abstract BACKGROUND Abelmoschus sagittifolius stands out as a valuable medicinal source for developing functional food targeting type 2 diabetes. This study investigated the α‐glucosidase inhibitory potential of an active fraction obtained from A. sagittifolius roots (ASR), enriched in (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid (OA), using both enzyme ...
Nguyen Phuong Mai, Nguyen Van Quan, Nguyen Dang Duc, Tran Dang Xuan   +3 more
wiley   +1 more source