Browsing by Author "Martin, D."

Showing items 1-10 of 10

Martin, D.; Maran, U.; Sild, S.; Karelson, M. QSPR Modeling of Solubility of Polyaromatic Hydrocarbons and Fullerene in 1-Octanol and n-Heptane. J. Phys. Chem. B 2007, 111, 33, 9853-9857.

Published: Geven Piir (2014-10-10)

Abstract: Solubility of polyaromatic hydrocarbons (PAH) and carbon nanostructures is important both from the technical and environmental points of view. In the present work, two general quantitative structure - property relationship (QSPR) models were developed, describing the solubility of PAH-s and fullerene (C60 ) in two different condensed media (1-octanol and ...

Regression
Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. J. Phys. Chem. C 2008, 112, 13, 4785–4790.

Published: Geven Piir (2014-10-10)

Abstract: Polarizability is one of the key properties determining the nonlinear optical effects of the new materials. In the current study, a quantitative structure - property relationship approach is used to model the polarizability of polyaromatic hydrocarbons (PAHs) and fullerenes. The model is derived using the data set of 40 PAHs and fullerenes and includes just ...

Regression
Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

Published: Geven Piir (2020-04-20)

Abstract: This QSAR model corresponds to the QMRF Q13-26-0009 "QSAR for the soil adsorption coefficient Koc" from the JRC QSAR Model Database

EnvironFate Regression QMRF
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

Published: Geven Piir (2020-04-17)

Abstract: This QSAR model corresponds to the QMRF Q13-22a-0034 "QSAR for abiotic degradation in air" from the JRC QSAR Model Database

EnvironFate Regression QMRF
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.

Published: Geven Piir (2020-04-17)

Abstract: 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 Database

HumanHealth Regression QMRF
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 toxicity to Daphnia magna. Q13-31-0060. 2010.

Published: Geven Piir (2020-04-21)

Abstract: This QSAR model corresponds to the QMRF Q13-31-0060 "QSAR for acute toxicity to Daphnia magna" from the JRC QSAR Model Database

EcoTox Regression QMRF
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.

Published: Geven Piir (2020-04-17)

Abstract: This QSAR model corresponds to the QMRF Q13-32-0028 "QSAR for algae toxicity of benzene derivatives" from the JRC QSAR Model Database

EcoTox Regression QMRF
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

Published: Geven Piir (2020-04-20)

Abstract: This QSAR model corresponds to the QMRF Q13-59-0008 "QSAR for human serum albumin binding" from the JRC QSAR Model Database

Toxicokinetics Regression QMRF
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.

Published: Geven Piir (2020-04-17)

Abstract: This QSAR model corresponds to the QMRF Q13-414-0035 "QSAR for rat chronic LOAEL" from the JRC QSAR Model Database

HumanHealth Regression QMRF
Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.

Published: Geven Piir (2020-04-17)

Abstract: This QSAR model corresponds to the QMRF Q13-418a-0021 "QSAR for relative binding affinity to estrogen receptor" from the JRC QSAR Model Database

HumanHealth Regression QMRF

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