Results 11 to 20 of about 29,861 (222)
Environmental Toxicology and Chemistry, 1992 Alan W. Elzerman, Donald Mackay
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Journal of the Brazilian Chemical Society, 2002 In this work, the chemometric techniques most frequently used in QSAR (quantitative structure-activity relationships) studies are reviewed. They are introduced in chronological order, beginning with Hansch analysis and the exploratory data analysis methods of principal components and hierarchical clustering (PCA and HCA). Principal component regression
Márcia M. C. Ferreira
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Chemical Society Reviews, 2020 Word cloud summary of diverse topics associated with QSAR modeling that are discussed in this review.
Dmitry Filimonov +22 more
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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
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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
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Group‐Based QSAR (G‐QSAR): Mitigating Interpretation Challenges in QSAR [PDF]
QSAR & Combinatorial Science, 2009 AbstractSeveral approaches are widely being used as important tools for drug discovery. These approaches include Hansch method, Free‐Wilson method and conventional 2‐D/3‐D QSAR methods. The Hansch analysis assumes that substituents are independent of each other and does not include explicit interactions of groups.
Subhash Ajmani +2 more
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Dehydroacetic Acid-Phenylhydrazone as a Potential Inhibitor for Wild-Type HIV-1 Protease: Structural, DFT, Molecular Dynamics, 3D QSAR and ADMET Characteristics [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2021 Despite several studies towards anti-HIV therapy, HIV infections remain a challenge due to the resistivity of developed drugs. The emergence of new HIV-1 PR mutations has led to the drug resistance of the available FDA-approved drugs and lower activity ...
Collins Ugochukwu Ibeji +7 more
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2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors [PDF]
BioMed Research International, 2017 Epidermal growth factor receptor (EGFR) is an important target for cancer therapy. In this study, EGFR inhibitors were investigated to build a two-dimensional quantitative structure-activity relationship (2D-QSAR) model and a three-dimensional quantitative structure-activity relationship (3D-QSAR) model. In the 2D-QSAR model, the support vector machine
Manman Zhao +7 more
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Substitued (E)-β-(benzoyl)acrylic acids suppressed survival of neoplastic human hela cells [PDF]
Journal of the Serbian Chemical Society, 1999 The bacteriostatic activity of some of alkyl substituted (E)-β-(benzoyl)acrylic acids was shown earlier. The aim of this study was to investigate the antiproliferative action of 19 alkyl-, or halogeno-, or methoxy-, or acetamido-substituted (E ...
Juranić Z. +5 more
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QSAR and Molecular Docking Studies on Non-Imidazole-Based Histamine H3 Receptor Antagonists [PDF]
Pharmaceutical Sciences, 2020 Background: In the recent years, histamine H3 receptor (H3R) has been receiving increasing attention in pharmacotherapy of neurological disorders.
Maryam Hamzeh-Mivehroud +2 more
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