Results 31 to 40 of about 2,040,439 (323)

Development and Evaluation of Conformal Prediction Methods for Quantitative Structure–Activity Relationship [PDF]

ACS Omega
Yuting Xu, Andy Liaw, Robert P. Sheridan, Vladimir Svetnik   +3 more
doaj   +2 more sources

Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives

Engineering, 2020
5-Substituted benzylidene 3-acylthiotetronic acids are antifungal. A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed, synthesized, and characterized, based on the binding pose of 3-acyl thiolactone
Pei Lv, Yiliang Chen, Dawei Wang, Xiangwei Wu, Qing X. Li, Rimao Hua   +5 more
doaj   +1 more source

Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents

Data in Brief, 2017
Fragment based Quantitative structure activity relationship (QSAR) analysis on reported 25 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole dataset as antitubercular agents were carried out.
Amit S. Tapkir, Sohan S. Chitlange, Ritesh P. Bhole   +2 more
doaj   +1 more source

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., Barbero G. F., Barbero G. F., Bennett D. J., Careaga M., Chou J., Constant H. L., Gannett P. M., Hancock C. R., Henderson D. E., Iwai K., Kaga H., Kagan I. A., Kim C. S., Kobata K., Kobata K., Lipinski C. A., Macho A., Macias F. A., Mannhold R., Morris G. C., Nitsch J. P., Ohnuki K., Ohnuki K., Perucka I., Rekker R. F., Rosa A., Sancho R., Surh Y. J., Sutoh K., Torregiani E., Unnikrishnan M. C., Zewdie Y.   +32 more
core   +3 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, Akhlaq Ahmad, Bhatti, Zahid Raza   +3 more
core   +2 more sources

Synthesis and Quantitative Structure–Activity Relationship of Imidazotetrazine Prodrugs with Activity Independent of O6-Methylguanine-DNA-methyltransferase, DNA Mismatch Repair and p53. [PDF]

, 2013
The antitumor prodrug Temozolomide is compromised by its dependence for activity on DNA mismatch repair (MMR) and the repair of the chemosensitive DNA lesion, O6-methylguanine (O6-MeG), by O6-methylguanine-DNA-methyltransferase (EC 2.1.1.63, MGMT). Tumor
Arris C. E., Arrowsmith J., Barvaux V. A., Boberg F., Boyd M. R., Bunz F., Damera K., Darkes M. J. M., De K., Denny B. J., Dimitrios Pletsas, Dinca E. B., Elrashied A. E. Garelnabi, Garelnabi E. A. E., Hirose Y., Honnalli S. S., Judson P. L., Karran P., Karran P., Kotera M., Leteurtre F., Li Li, Liu L., McElhinney R. S., McGarrity J. F., Mladek A. C., Nishizuka S., Pletsas D., Richard T. Wheelhouse, Roger M. Phillips, Sarkaria J. N., Schmidt B. F., Schmiedekamp A., Shealy Y. F., Siddiqui A. A., Smith R. H., Stevens M. F. G., Svilar D., Wang Y., Wheelhouse R. T., Wheelhouse R. T., Zhang J., Zhang J.   +42 more
core   +1 more source

Relating Anaerobic Digestion Microbial Community and Process Function [PDF]

, 2016
Anaerobic digestion (AD) involves a consortium of microorganisms that convert substrates into biogas containing methane for renewable energy. The technology has suffered from the perception of being periodically unstable due to limited understanding of ...
Bocher, Benjamin T.W., Maki, James, Venkiteshwaran, Kaushik, Zitomer, Daniel   +3 more
core   +3 more sources

Quantitative Structure–Activity Relationship Models for Predicting Inflammatory Potential of Metal Oxide Nanoparticles

Environmental Health Perspectives, 2020
Background: Although substantial concerns about the inflammatory effects of engineered nanomaterial (ENM) have been raised, experimentally assessing toxicity of various ENMs is challenging and time-consuming.
Y. Huang, Xuehua Li, Shu-juan Xu, Huizhen Zheng, Lili Zhang, Jingwen Chen, H. Hong, R. Kusko, Ruibin Li   +8 more
semanticscholar   +1 more source

Second-generation nitazoxanide derivatives: thiazolides are effective inhibitors of the influenza A virus [PDF]

, 2018
Aim: The only small molecule drugs currently available for treatment of influenza A virus (IAV) are M2 ion channel blockers and sialidase inhibitors. The prototype thiazolide, nitazoxanide, has successfully completed Phase III clinical trials against ...
Andrew V Stachulski, Brian M Eklov, Chandrakala Pidathala, Eleanor C Row, Giuseppe Belardo, J Edward Semple, Jean-Francois Rossignol, La Frazia S, M Gabriella Santoro, Mazhar Iqbal, Neil G Berry, Paul M O'Neill, Podlogar BL, Rossignol JF, Rossignol JF, Sara Piacentini, Sarah A Allman, Simone La Frazia   +17 more
core   +1 more source

Quantitative Structure-Activity Relationship of Humic-Like Biostimulants Derived From Agro-Industrial Byproducts and Energy Crops

Frontiers in Plant Science, 2020
Humic-like substances (HLSs) isolated by alkaline oxidative hydrolysis from lignin-rich agro-industrial residues have been shown to exert biostimulant activity toward maize (Zea mays L.) germination and early growth.
Davide Savy, Y. Brostaux, V. Cozzolino, P. Delaplace, P. du Jardin, A. Piccolo   +5 more
semanticscholar   +1 more source