Results 1 to 10 of about 17,110 (119)
QSAR Models for Climate Impact Assessment: Born to Be Sustainable [PDF]
ToxicsThe Global Warming Potential (GWP) is among the metrics used as midpoints in the Life Cycle Impact Assessment (LCIA) phase of the Life Cycle Assessment. However, GWP values are not always available.
Arianna Sgariboldi +2 more
doaj +2 more sources
A Comparison of “Neural Networks and Multiple Linear Regressions” Models to Describe the Rejection of Micropollutants by Membranes [PDF]
Kemija u Industriji, 2020 A rejection process of organic compounds by nanofiltration and reverse osmosis membranes was modelled using the artificial neural networks. Three feed-forward neural networks based on quantitative structure-activity relationship (QSAR-NN models ...
Yamina Ammi +2 more
doaj +1 more source
Molecules, 2023 In this study, we investigated PFAS (per- and polyfluoroalkyl substances) binding potencies to nuclear hormone receptors (NHRs): peroxisome proliferator-activated receptors (PPARs) α, β, and γ and thyroid hormone receptors (TRs) α and β.
Dominika Kowalska +6 more
doaj +1 more source
An Application of InterCriteria Analysis Approach to Assess the AMMOS Software Platform Outcomes
Biomath, 2022 The experimental procedures of drug design, proven to be time-consuming and costly, are successfully complemented with computer-aided (in silico) approaches nowadays.
Dessislava Jereva +6 more
doaj +1 more source
Molecules, 2022 Quantitative structure–activity relationships (QSAR) are a widely used methodology allowing not only a better understanding of the mechanisms of chemical reactions, including radical scavenging, but also to predict the relevant properties of chemical ...
Petko Alov +2 more
doaj +1 more source
Prediction of pEC50(M) and molecular docking study for the selective inhibition of arachidonate 5-lipoxygenase [PDF]
The Ukrainian Biochemical Journal, 2021 Arachidonate 5-lipoxygenase (ALOX5) is considered a prime target for drug discovery in the area of liver fibrosis, rheumatoid arthritis, atherosclerosis, cancer and asthma.
N. R. Das, P. G. R. Achary
doaj +1 more source
ChemTastesDB: A curated database of molecular tastants
Food Chemistry: Molecular Sciences, 2022 The purpose of this work is the creation of a chemical database named ChemTastesDB that includes both organic and inorganic tastants. The creation, curation pipeline and the main features of the database are described in detail.
Cristian Rojas +5 more
doaj +1 more source
QSAR study of benzylidene hydrazine benzamides derivatives with in vitro anticancer activity against human lung cancer cell line A459 [PDF]
Journal of Pharmacy & Pharmacognosy Research, 2023 Context: In the last decade, resistance to epidermal growth factor receptor-tyrosine kinase inhibitors (EGFR-TKIs) in lung cancer cases has been widespread. The discovery and development of new drugs need to be done to overcome the case.
Galih Satrio Putra +6 more
doaj +1 more source
A QSAR Study on the 4-Substituted Coumarins as Potent Tubulin Polymerization Inhibitors [PDF]
Advanced Pharmaceutical Bulletin, 2020 Purpose: Despite the discovery and synthesis of several anticancer drugs, cancer is still a major life threatening incident for human beings after cardiovascular diseases.
Leila Dinparast, Siavoush Dastmalchi
doaj +1 more source
Journal of Big Data, 2021 Background New dipeptidyl peptidase-4 (DPP-4) inhibitors need to be developed to be used as agents with low adverse effects for the treatment of type 2 diabetes mellitus. This study aims to build quantitative structure-activity relationship (QSAR) models
Alhadi Bustamam +6 more
doaj +1 more source