The Psychonauts' Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity. [PDF]
Pharmaceuticals (Basel), 2021 © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).Designer ...
Catalani V +6 more
europepmc +4 more sources
A quantitative structure-activity relationship (QSAR) study of chlorinated cyclodiene insecticide analogs [PDF]
, 1995 Quantitative structure-activity relationships (QSAR) between the inhibitory effect of specific t-butylbicyclophosphorothionate (TBPS) binding to rat brain P2 membrane, a lipophilic parameter, and topological indices, were studied for 33 chlorinated ...
Jianbo Liu
openalex +4 more sources
Covering complexity, scalar curvature, and quantitative $K$-theory [PDF]
, 2022 We establish a relationship between a certain notion of covering complexity of a Riemannian spin manifold and positive lower bounds on its scalar curvature. This makes use of a pairing between quantitative operator $K$-theory and Lipschitz topological $K$-theory, combined with an earlier vanishing theorem for the quantitative higher index.
arxiv +1 more source
Toward Novel Antioxidant Drugs: Quantitative Structure-Activity Relationship Study of Eugenol Derivatives [PDF]
, 2021 The study of the Quantitative Structure-Activity Relationship (QSAR) of eugenol compound and its derivatives towards antioxidant activities was conducted using electronic and molecular descriptors.
Triatmaja, Karisma +1 more
core +2 more sources
Analysis of Quantitative Structure-Activity Relationship (QSAR) Of 1,8-Napthalymide-4-Aminoquinoline Derivatives as Antimalarial Compounds [PDF]
, 2022 QSAR analysis from derivative compounds of 1,8-naphthalimide-4-aminoquinoline has been carried out with the aim of knowing the quantitative relationship between structure and activity based on the log IC50 value.
Fitriani, Ika Nur +2 more
core +2 more sources
Application of Hansch’s Model to Capsaicinoids and Capsinoids: A Study Using the Quantitative Structure−Activity Relationship. A Novel Method for the Synthesis of Capsinoids [PDF]
, 2010 We describe a synthetic approach for two families of compounds, the capsaicinoids and capsinoids, as part of a study of the quantitative relationship between structure and ...
Appendino G. +32 more
core +2 more sources
Validation of Quantitative Structure-Activity Relationship (QSAR) Model for Photosensitizer Activity Prediction [PDF]
, 2011 Photodynamic therapy is a relatively new treatment method for cancer which utilizes a combination of oxygen, a photosensitizer and light to generate reactive singlet oxygen that eradicates tumors via direct cell-killing, vasculature damage and engagement
Allison +32 more
core +3 more sources
On quantitative Schur and Dunford-Pettis properties [PDF]
Bull. Austral. Math. Soc. 91 (2015), no. 3, 471-486, 2013 We show that the dual to any subspace of $c_0(\Gamma)$ has the strongest possible quantitative version of the Schur property. Further, we establish relationship between the quantitative Schur property and quantitative versions of the Dunford-Pettis property.
arxiv +1 more source
Assessment of Potential Carcinogenicity by Quantitative Structure-Activity Relationship (QSAR) [PDF]
, 2018 Already in 1978, Elisabeth C. Miller and James A. Miller came with a presumption that electrophilic molecules are predicted to be carcinogens. It is because DNA molecule is reached in nucleophilic centres that may covalently bind to such substances ...
Zeljezic, Davor
core +2 more sources
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