Publications by authors named "Andre Lomaka"

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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

J Chem Phys· April 2020

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Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition.
Iiris Kahn, Andre Lomaka, Mati Karelson

Mol Inform· April 2014

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Open computing grid for molecular science and engineering.
Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson

J Chem Inf Model· June 2006

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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, Ruslan Petrukhin, Douglas B Tatham, Andre Lomaka

J Chem Inf Comput Sci· October 2004

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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, Ruslan Petrukhin, Douglas B Tatham, Andre Lomaka

J Chem Inf Comput Sci· October 2004

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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, Mati Karelson

Bioorg Med Chem Lett· December 2002

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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, Douglas B Tatham, Uko Maran, Andre Lomaka

Curr Top Med Chem· December 2002

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Prediction of ultraviolet spectral absorbance using quantitative structure-property relationships.
William L Fitch, Malcolm McGregor, Alan R Katritzky, Andre Lomaka, Ruslan Petrukhin

J Chem Inf Comput Sci· September 2002

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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, Ruslan Petrukhin, Mati Karelson

J Chem Inf Comput Sci· May 2002

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QSPR correlation of the melting point for pyridinium bromides, potential ionic liquids.
Alan R Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson

J Chem Inf Comput Sci· April 2002

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