CADMA-Chem: A Computational Protocol Based on Chemical Properties Aimed to Design Multifunctional Antioxidants
EG Guzman-Lopez, M Reina… - International Journal of …, 2022 - mdpi.com
A computational protocol aimed to design new antioxidants with versatile behavior is
presented. It is called Computer-Assisted Design of Multifunctional Antioxidants and is …
presented. It is called Computer-Assisted Design of Multifunctional Antioxidants and is …
Betulin isolated from Pyrola incarnata Fisch. inhibited lipopolysaccharide (LPS)-induced neuroinflammation with the guidance of computer-aided drug design
Q Liu, JP Liu, JH Mei, SJ Li, LQ Shi, ZH Lin… - Bioorganic & Medicinal …, 2020 - Elsevier
This study aims to investigate active phytochemicals isolated from Pyrola incarnata Fisch.(P.
incarnata) and their protection against neuroinflammation induced by LPS. Betulin …
incarnata) and their protection against neuroinflammation induced by LPS. Betulin …
Got to Write a Classic: Classical and Perturbation-Based QSAR Methods, Machine Learning, and the Monitoring of Nanoparticle Ecotoxicity
AS Moura, MNDS Cordeiro - Ecotoxicological QSARs, 2020 - Springer
Abstract Machine learning has become a central feature in the development or refinement of
in silico methodologies and techniques. Quantitative structure-activity relationship (QSAR) …
in silico methodologies and techniques. Quantitative structure-activity relationship (QSAR) …
Aiming High versus Aiming All: Aquatic Toxicology and QSAR Multitarget Models
AS Moura, MNDS Cordeiro - … and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
Chemometrics and Chemoinformatics are inescapably linked to the bio‐targets that serve as
endpoint for the predictive models and software solutions. However, complexity is also a …
endpoint for the predictive models and software solutions. However, complexity is also a …