Results 91 to 100 of about 1,549,507 (219)
ToxicsIt is imperative to comprehend the mechanisms that underlie drug toxicity in order to enhance the efficacy and safety of novel therapeutic agents. The capacity to identify molecular pathways that contribute to drug-induced toxicity has been significantly
Ahrum Son +6 more
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DESIGN OF HYDROXY XANTHONES DERIVATIVES AS ANTICANCER USING QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP [PDF]
, 2016 Objective: The objective of the research is to design a new hydroxy xanthone derivative has anticancer activity using quantitative structure-activityrelationship (QSAR).Methods: The QSAR designed new compounds were calculated by parameterized model 3 ...
Jumina, Jumina +3 more
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Quantitative notions of rectifiability in the Heisenberg groups [PDF]
arXiv, 2019 Several quantitative notions of rectifiability in the Heisenberg groups have emerged in the recent literature. In this paper we study the relationship between two of them, the big pieces of intrinsic Lipschitz graphs (BPiLG) condition and the bilateral weak geometric lemma (BWGL), and show that sets with BPiLG satisfy the BWGL.
arxiv
Quantum Chemical QSAR Models to Distinguish Between Inhibitory Activities of Sulfonamides Against Human Carbonic Anhydrases I and II and Bovine IV Isozymes [PDF]
, 2012 Linear and nonlinear quantitative structure activity relationship models for predicting the inhibitory activities of sulfonamides toward different carbonic anhydrase isozymes were developed based on multilinear regression, principal component-artificial ...
Deeb, Omar +2 more
core
INSILICO EVALUATION OF ANTISMOKING ACTIVITY OF ERYTHRININE: A COMPUTATIONAL COMPARISON AGAINST CYTISINE [PDF]
, 2016 Objectives: Erythrinine is a new ring-C-oxygenated Erythrina alkaloid from plant sources Erythrina Indica. The aim of this study is to investigate the smoking cessation activity of Erythrinine and its analogues using in silico computational approach ...
Muthukumar, Vijeyaanandhi +1 more
core +1 more source
Frontiers in Microbiology, 2019 Besides their established antioxidant activity, many phenolic compounds may exhibit significant antibacterial activity. Here, the effect of a large dataset of 35 polyphenols on the growth of 6 foodborne pathogenic or food-spoiling bacterial strains ...
Lynda Bouarab-Chibane +8 more
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On the Augmented Zagreb Index [PDF]
Kuwait J. Sci. 43(2), (2016) 48-63, 2014 Topological indices play an important role in mathematical chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). Recent research indicates that the augmented Zagreb index (AZI) possess the best correlating ability among several topological indices.
arxiv
Journal of Chemistry, 2016 A series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis.
Giovanna Cardoso Gajo +4 more
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SDE in Random Population Growth [PDF]
arXiv, 2008 In this paper we extend the recent work of C.A. Braumann \cite{B2007} to the case of stochastic differential equation with random coefficients. Furthermore, the relationship of the It\^o-Stratonovich stochastic calculus to studies of random population growth is also explained.
arxiv
Deep learning for chemoinformatics
大数据, 2017 Deep learning have been successfully used in computer vision，speech recognition and natural language processing，leading to the rapid development of artificial intelligence.The key technology of deep learning was also applied to chemoinformatics，speeding ...
Youjun XU, Jianfeng PEI
doaj