Results 11 to 20 of about 402,830 (348)

Quantitative structure-activity relationship study of antitubercular fluoroquinolones [PDF]

Molecular Diversity, 2013
Quantitative structure-activity relationship study on three diverse sets of structurally similar fluoroquinolones was performed using a comprehensive set of molecular descriptors.
Nikola Minovski (390712), Tom Šolmajer (390759), Marjan Vračko (390758)   +2 more
core   +3 more sources

Quantitative Structure–Activity Relationship

Quantitative Structure–Activity Relationship (QSAR), or Hubungan Kuantitatif Struktur dan Aktivitas (HKSA), is a computational approach in medicinal chemistry used to understand the relationship between the chemical structure of compounds and their ...
Vioni Yulianti
core   +2 more sources

Design and Synthesis of Pleuromutilin Derivatives as Antibacterial Agents Using Quantitative Structure-Activity Relationship Model. [PDF]

Int J Mol Sci
Zhang J, Liu Q, Zhao H, Li G, Yi Y, Shang R.   +5 more
europepmc   +3 more sources

3D-QSAR-based pharmacophore determination and design of novel DPP-4 inhibitors [PDF]

Scripta Medica, 2022
Background/Aim: Therapy of diabetes mellitus type 2 includes drugs that act as inhibitors of dipeptidyl peptidase 4 (DPP-4) enzyme. Several DPP-4 inhibitors are marketed today and although they have favourable safety profile and tolerability, they show ...
Rogić Sanja, Gagić Žarko
doaj   +1 more source

QSAR studies for the acute toxicity of nitrobenzenes to the Tetrahymena pyriformis [PDF]

Journal of the Serbian Chemical Society, 2014
Quantitative structure-activity relationship (QSAR) models play a key role in finding the relationship between molecular structures and the toxicity of nitrobenzenes to Tetrahymena pyriformis.
Wang Dan-Dan, Feng Lin-Lin, He Guang-Yu, Chen Hai-Qun   +3 more
doaj   +1 more source

Quantitative Structure-Activity Relationship

Japanese Journal of Pesticide Science, 2013
Yoshiaki Nakagawa
openalex   +3 more sources

Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship [PDF]

Royal Society Open Science, 2017
Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections.
Hui Wang, Mingyue Jiang, Shujun Li, Chung-Yun Hse, Chunde Jin, Fangli Sun, Zhuo Li   +6 more
doaj   +1 more source

Nonlinear Prediction of Quantitative Structure−Activity Relationships [PDF]

Journal of Chemical Information and Computer Sciences, 2004
Predicting the log of the partition coefficient P is a long-standing benchmark problem in Quantitative Structure-Activity Relationships (QSAR). In this paper we show that a relatively simple molecular representation (using 14 variables) can be combined with leading edge machine learning algorithms to predict logP on new compounds more accurately than ...
Peter Tiño, Ian T. Nabney, Bruce S. Williams, Jens Lösel, Yi Sun 0001   +4 more
openaire   +3 more sources

QSAR, QSTR, and molecular docking studies of the anti-proliferative activity of phenylpiperazine derivatives against DU145 prostate cancer cell lines

Beni-Suef University Journal of Basic and Applied Sciences, 2020
Background Prostate cancer is the most common non-cutaneous cancer in males and accounts for about 4% of all cancer-related deaths in males annually.
Fabian A. Ikwu, Gideon A. Shallangwa, Paul A. Mamza   +2 more
doaj   +1 more source

Correlation between the lipophilicity and antifungal activity of some benzoxazole derivatives [PDF]

Acta Periodica Technologica, 2010
In the present work, a quantitative relationship between the lipophilicity and antifungal activity of some benzoxazole derivatives against Candida albicans was investigated by using QSAR (quantitative structure-activity relationship) analyses.
Podunavac-Kuzmanović Sanja O., Velimirović Sonja D.   +1 more
doaj   +1 more source