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The Journal of Chemical Physics
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May 3, 2020
Linearization of moment tensor potentials for multicomponent systems with a preliminary assessment for short-range interaction energy in water dimer and trimer
Andre Lomaka, Toomas Tamm
Molecular Informatics
|
August 4, 2016
Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition
Iiris Kahn, Andre Lomaka, Mati Karelson
Bioorganic & Medicinal Chemistry Letters
|
November 7, 2002
Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships
Alan R Katritzky, Alexander Oliferenko, Andre Lomaka, et al.
Journal of Chemical Information and Modeling
|
May 23, 2006
Open computing grid for molecular science and engineering
Sulev Sild, Uko Maran, Andre Lomaka, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Prediction of ultraviolet spectral absorbance using quantitative structure-property relationships
William L Fitch, Malcolm McGregor, Alan R Katritzky, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2002
Correlation of the melting points of potential ionic liquids (imidazolium bromides and benzimidazolium bromides) using the CODESSA program
Alan R Katritzky, Ritu Jain, Andre Lomaka, et al.
Journal of Chemical Information and Computer Sciences
|
February 22, 2002
QSPR correlation of the melting point for pyridinium bromides, potential ionic liquids
Alan R Katritzky, Andre Lomaka, Ruslan Petrukhin, et al.
Current Topics in Medicinal Chemistry
|
December 10, 2002
The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors
Alan R Katritzky, Dan C Fara, Ruslan O Petrukhin, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
A general treatment of solubility. 1. The QSPR correlation of solvation free energies of single solutes in series of solvents
Alan R Katritzky, Alexander A Oliferenko, Polina V Oliferenko, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
A general treatment of solubility. 2. QSPR prediction of free energies of solvation of specified solutes in ranges of solvents
Alan R Katritzky, Alexander A Oliferenko, Polina V Oliferenko, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
May 3, 2020
Linearization of moment tensor potentials for multicomponent systems with a preliminary assessment for short-range interaction energy in water dimer and trimer
Andre Lomaka, Toomas Tamm
Molecular Informatics
|
August 4, 2016
Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition
Iiris Kahn, Andre Lomaka, Mati Karelson
Bioorganic & Medicinal Chemistry Letters
|
November 7, 2002
Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships
Alan R Katritzky, Alexander Oliferenko, Andre Lomaka, et al.
Journal of Chemical Information and Modeling
|
May 23, 2006
Open computing grid for molecular science and engineering
Sulev Sild, Uko Maran, Andre Lomaka, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Prediction of ultraviolet spectral absorbance using quantitative structure-property relationships
William L Fitch, Malcolm McGregor, Alan R Katritzky, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2002
Correlation of the melting points of potential ionic liquids (imidazolium bromides and benzimidazolium bromides) using the CODESSA program
Alan R Katritzky, Ritu Jain, Andre Lomaka, et al.
Journal of Chemical Information and Computer Sciences
|
February 22, 2002
QSPR correlation of the melting point for pyridinium bromides, potential ionic liquids
Alan R Katritzky, Andre Lomaka, Ruslan Petrukhin, et al.
Current Topics in Medicinal Chemistry
|
December 10, 2002
The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors
Alan R Katritzky, Dan C Fara, Ruslan O Petrukhin, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
A general treatment of solubility. 1. The QSPR correlation of solvation free energies of single solutes in series of solvents
Alan R Katritzky, Alexander A Oliferenko, Polina V Oliferenko, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
A general treatment of solubility. 2. QSPR prediction of free energies of solvation of specified solutes in ranges of solvents
Alan R Katritzky, Alexander A Oliferenko, Polina V Oliferenko, et al.
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