A review of quantitative structure-activity relationship: the development and current status of data sets, molecular descriptors and mathematical models
J Li, T Zhao, Q Yang, S Du, L Xu - Chemometrics and Intelligent Laboratory …, 2024 - Elsevier
Abstract Develo** Quantitative Structure-Activity Relationship (QSAR) models applicable
to general molecules is of great significance for molecular design in many disciplines. This …
to general molecules is of great significance for molecular design in many disciplines. This …
[HTML][HTML] An ISG15-Based High-Throughput Screening Assay for Identification and Characterization of SARS-CoV-2 Inhibitors Targeting Papain-like Protease
Emergence of newer variants of SARS-CoV-2 underscores the need for effective antivirals to
complement the vaccination program in managing COVID-19. The multi-functional papain …
complement the vaccination program in managing COVID-19. The multi-functional papain …
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
Around three billion people are at risk of infection by the dengue virus (DENV) and
potentially other flaviviruses. Worldwide outbreaks of DENV, Zika virus (ZIKV), and yellow …
potentially other flaviviruses. Worldwide outbreaks of DENV, Zika virus (ZIKV), and yellow …
[HTML][HTML] The Database Makes the Poison: How the Selection of Datasets in QSAR Models Impacts Toxicant Prediction of Higher Tier Endpoints
Abstract As the United States and the European Union continue their steady march towards
the acceptance of new approach methodologies (NAMs), we need to ensure that the …
the acceptance of new approach methodologies (NAMs), we need to ensure that the …
Integration of LBDD and SBDD Studies on Drug Design: A Fatty Acid Amide Hydrolase (FAAH) Case Study
PAL Santana, MSM Ruas, GC Veríssimo… - Journal of the Brazilian …, 2024 - SciELO Brasil
The inhibition of the fatty acid amide hydrolase (FAAH), an endocannabinoid system
component, emerged as a potentially new therapeutic target for a range of clinical disorders …
component, emerged as a potentially new therapeutic target for a range of clinical disorders …