BINARY QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS IN RETROSPECTIVE STRUCTURE-BASED VIRTUAL SCREENING CAMPAIGNS TARGETING ESTROGEN RECEPTOR ALPHA [PDF]
, 2017 Â Â Objective: The objective of this study is to construct predictive unbiased structure-based virtual screening (SBVS) protocols to identify potent ligands for estrogen receptor alpha by combining molecular docking, protein-ligand interaction ...
Hariono, Maywan +4 more
core +1 more source
Evaluation of Cx43 Gap Junction Inhibitors Using a Quantitative Structure-Activity Relationship Model. [PDF]
Biomedicines, 2023 Matusevičiūtė R +5 more
europepmc +1 more source
VIRTUAL SCREENING, PHARMACOPHORE MODELING, AND QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON HISTAMINE 4 RECEPTOR [PDF]
, 2017 Â Â Objective: To find out novel inhibitors for histamine 4 receptor (H4R), the target for various allergic and inflammatory pathophysiological conditions.Methods: Homology modeling of H4R was performed using easy modeler and validated using structure ...
S, SHOBANA
core +1 more source
Data-Driven Quantitative Structure-Activity Relationship Modeling for Human Carcinogenicity by Chronic Oral Exposure. [PDF]
Environ Sci Technol, 2023 Chung E +6 more
europepmc +1 more source
Predicting Romantic Human-Chatbot Relationships: A Mixed-Method Study on the Key Psychological Factors [PDF]
arXivRomantic relationships with social chatbots are becoming increasingly prevalent, raising important questions about their societal and psychological implications. Despite this growing trend, little is known about the individuals entering these synthetic relationships. This three-part study seeks to enhance understanding of the factors encompassing human-
arxiv
MTD Approach to Quantitative Structure-Activity Relationships for Cardiotonic Steroids [PDF]
, 1985 Martin Bohl, Zeno Simon
openalex +1 more source
Beni-Suef University Journal of Basic and Applied Sciences, 2018 In silico studies which include Quantitative structure-activity relationship (QSAR) and molecular docking studies were carried out on the 37 amino-benzothiazole derivatives (anticonvulsant agents).
Usman Abdulfatai, Adamu Uzairu, Sani Uba
doaj
Introductory Chapter: Some Quantitative Structure Activity Relationship Descriptor [PDF]
, 2017 Kandemirli, Fatma
core +2 more sources
Virtual docking screening and quantitative structure-activity relationship studies to explore AKT and PI3K inhibitors acting on mTOR in cancers by theoretical biology and medical modeling. [PDF]
Contemp Oncol (Pozn), 2023 Kandoussi I +5 more
europepmc +1 more source
Quantitative Structure - Activity Relationships Study of Carbonic Anhydrase Inhibitors Using Logistic Regression Model [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2013 Binary Logistic Regression (BLR) has been developed as non-linear models to establish quantitative structure- activity relationships (QSAR) between structural descriptors and biochemical activity of carbonic anhydrase inhibitors.
Hassan Sahebjamee +3 more
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