Results 21 to 30 of about 1,615,291 (236)

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

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

Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models

iScience, 2021
Summary: Early quantitative structure-activity relationship (QSAR) technologies have unsatisfactory versatility and accuracy in fields such as drug discovery because they are based on traditional machine learning and interpretive expert features.
Jiashun Mao, Javed Akhtar, Xiao Zhang, Liang Sun, Shenghui Guan, Xinyu Li, Guangming Chen, Jiaxin Liu, Hyeon-Nae Jeon, Min Sung Kim, Kyoung Tai No, Guanyu Wang   +11 more
doaj   +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 Modeling of Kinase Selectivity Profiles

Molecules, 2017
The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate ...
Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, Jens Meiler   +3 more
doaj   +1 more source

A machine learning approach in predicting mosquito repellency of plant – derived compounds

Nova Biotechnologica et Chimica, 2018
The increasing prevalence of mosquito – borne diseases has prompted intensified efforts in the prevention of being bitten by the vector. Among the various strategies of vector control, the application of repellents provides instant and effective ...
Janairo Jose Isagani B., Janairo Gerardo C., Co Frumencio F.   +2 more
doaj   +1 more source

Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp. [PDF]

Acta Periodica Technologica, 2011
In the present paper, the antibacterial activity of some 1-benzylbenzimidazole derivatives was evaluated against Gram-positive bacteria Bacillus spp. by using QSAR (quantitative structure-activity relationship). The tested compounds displayed in vitro
Podunavac-Kuzmanovića Sanja O., Cvetković Dragoljub D., Gadžurić Slobodan B.   +2 more
doaj   +1 more source

Quantitative Structure-Activity Relationship of Fluorescent Probes and Their Intracellular Localizations

Chemosensors, 2023
The development of organelle-specific fluorescent probes has been impeded by the absence of a comprehensive understanding of the relationship between the physicochemical properties of fluorescent probes and their selectivity towards specific organelles ...
Seong-Hyeon Park, Hong-Guen Lee, Xiao Liu, Sung Kwang Lee, Young-Tae Chang   +4 more
doaj   +1 more source