Zenodo copy of generic-qsar-py-utils (version 0.21) [PDF]
, 2016 <p>This is a Zenodo copy of generic-qsar-py-utils (version 0.21), for which the latest version can be found here: https://github.com/RichardLMR/generic-qsar-py-utils</p ...
Richard L. Marchese Robinson (5273902) +1 more
core +1 more source
A QSAR classification model of skin sensitization potential based on improving binary crow search algorithm [PDF]
, 2020 Classifying of skin sensitization using the quantitative structure-activityrelationship (QSAR) model is important. Applying descriptor selection isessential to improve the performance of the classification task.
Algamal, Zakariya Yahya; University of Mosul +1 more
core +2 more sources
QSAR based modeling of hepatitis C virus NS5B inhibitors
Journal of Saudi Chemical Society, 2010 QSAR analysis on a series of 13 derivatives of 5-hydroxy-3-(2H)-pyridazinone as hepatitis C virus NS5B polymerase inhibitors was performed. The inhibitory activities of these compounds were found to increase with density (D), index of refractivity (Ior),
A.K. Srivastava +3 more
doaj +1 more source
Mixed-model QSAR at the glucocorticoid and liver X receptors [PDF]
, 2009 The presence of hormonally active compounds in the biosphere has become a worldwide environmental concern, and measures such as policy acts and regulations try to address the problem, both in Europe and in the United States.
Spreafico, Morena
core +1 more source
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009. [PDF]
, 2020 This QSAR model corresponds to the QMRF Q13-32-0028 "QSAR for algae toxicity of benzene derivatives" from the JRC QSAR Model ...
core +1 more source
Journal of Saudi Chemical Society, 2011 QSAR studies were performed on a series of imidazole derivatives as novel Orl1 receptor antagonists. Imidazole derivatives have been analyzed in relation to their physicochemical and molecular properties.
A.K. Srivastava, Neerja Shukla
doaj +1 more source
Clean Technologies, 2020 Pharmaceuticals in waters represent a worldwide problem of today. Advanced oxidation processes (AOPs) are being researched for elimination of the ecological hazard.
Melanie Voigt +6 more
doaj +1 more source
Molecular Modeling and Receptor-Dependent (RD) 3D-QSAR Approach to a Set of Antituberculosis Derivatives [PDF]
, 2015 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)In this study, receptor-dependent (RD) 3D-QSAR models were built for a set of thirty-seven isoniazid derivatives bound to the enoyl-acp reductase from M.
Ferreira, MMC, Pasqualoto, KFM
core +1 more source
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009. [PDF]
, 2020 This QSAR model corresponds to the QMRF Q13-42-0029 "QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method" from the JRC QSAR Model ...
core +1 more source
Zenodo copy of generic-qsar-py-utils (version 0.1) [PDF]
, 2016 <p>This is a Zenodo copy of generic-qsar-py-utils (version 0.1), for which the latest version can be found here: https://github.com/RichardLMR/generic-qsar-py-utils</p ...
Richard L. Marchese Robinson (5273902) +1 more
core +1 more source