Results 31 to 40 of about 1,549,507 (219)
More on Comparison Between First Geometric-Arithmetic Index and Atom-Bond Connectivity Index [PDF]
, 2015 The first geometric-arithmetic (GA) index and atom-bond connectivity (ABC) index are molecular structure descriptors which play a significant role in quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship ...
Akbar Ali +3 more
core +2 more sources
Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles
Molecules, 2017 The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate ...
Sandeepkumar Kothiwale +3 more
doaj +1 more source
A machine learning approach in predicting mosquito repellency of plant – derived compounds
Nova Biotechnologica et Chimica, 2018 The increasing prevalence of mosquito – borne diseases has prompted intensified efforts in the prevention of being bitten by the vector. Among the various strategies of vector control, the application of repellents provides instant and effective ...
Janairo Jose Isagani B. +2 more
doaj +1 more source
Molecules, 2021 The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-
María de los Ángeles Zermeño-Macías +7 more
doaj +1 more source
Linear Response Theory of Evolved Metabolic Systems [PDF]
, 2022 Predicting cellular metabolic states is a central problem in biophysics. Conventional approaches, however, sensitively depend on the microscopic details of individual metabolic systems. In this Letter, we derived a universal linear relationship between the metabolic responses against nutrient conditions and metabolic inhibition, with the aid of a ...
arxiv +1 more source
Quantitative Structure–Activity Relationship (QSAR) Studies of Some Glutamine Analogues for Possible Anticancer Activity [PDF]
, 2018 A Quantitative Structure–Activity Relationship (QSAR) study was performed to predict an anticancer activity in tumor cells of thirty-six 5-N-substituted-2-(substituted benzenesulphonyl) glutamines compounds using the electronic and topologic descriptors ...
S. Chtita, M. A. Ajana, M. Bouachrine, T. Lakhlifi, B. Elidrissi, A. Ousaa, M. Ghamali,
core +2 more sources
Quantitative structure-activity relationships to predict antibacterial effect of some benzimidazole derivatives [PDF]
Acta Periodica Technologica, 2008 The antibacterial activity of some substituted benzimidazole derivatives against Gram negative bacteria Escherichia coli was investigated. The tested compounds displayed in vitro inhibitory activity and their minimum inhibitory concentrations were ...
Podunavac-Kuzmanović Sanja O. +2 more
doaj +1 more source
Chemosensors, 2023 The development of organelle-specific fluorescent probes has been impeded by the absence of a comprehensive understanding of the relationship between the physicochemical properties of fluorescent probes and their selectivity towards specific organelles ...
Seong-Hyeon Park +4 more
doaj +1 more source
Development and Evaluation of Conformal Prediction Methods for Quantitative Structure–Activity Relationship [PDF]
ACS OmegaYuting Xu +3 more
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Relating Anaerobic Digestion Microbial Community and Process Function [PDF]
, 2016 Anaerobic digestion (AD) involves a consortium of microorganisms that convert substrates into biogas containing methane for renewable energy. The technology has suffered from the perception of being periodically unstable due to limited understanding of ...
Bocher, Benjamin T.W. +3 more
core +3 more sources