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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

The Journal of chemical physics, 2020-04, Vol.152 (16), p.164115-164115

2020

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Perspective on the Relationship between Melting Points and Chemical Structure

Crystal growth & design, 2001-07, Vol.1 (4), p.261-265

2001

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Six-membered cyclic ureas as HIV-1 protease inhibitors: A QSAR study based on CODESSA PRO approach

Bioorganic & medicinal chemistry letters, 2002-12, Vol.12 (23), p.3453-3457

2002

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The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors

Current topics in medicinal chemistry, 2002-12, Vol.2 (12), p.1333

2002

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Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program

Journal of Chemical Information and Computer Sciences, 2002-03, Vol.42 (2), p.225-231

2002

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QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids

Journal of Chemical Information and Computer Sciences, 2002-01, Vol.42 (1), p.71-74

2002

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Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition

Molecular informatics, 2014-04, Vol.33 (4), p.269-275

2014

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Using a private desktop grid system for accelerating drug discovery

Future generation computer systems, 2011-06, Vol.27 (6), p.657-666

2011

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Quantum-chemical modeling of the tautomeric equilibria of modified anionic nucleic acid bases

ARKIVOC, 2002-04, Vol.2001 (3), p.51-62

2002

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Open Computing Grid for Molecular Science and Engineering

Journal of chemical information and modeling, 2006-05, Vol.46 (3), p.953-959

2006

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Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure−Property Relationships

Journal of Chemical Information and Computer Sciences, 2002-07, Vol.42 (4), p.830-840

2002

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QSPR Modelling of Lanthanide-Organic Complex Stability Constants

Separation science and technology, 2006-01, Vol.41 (1), p.197-216

2006

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QSAR study of pharmacological permeabilities

ARKIVOC free online journal of organic chemistry, 2009-02, Vol.2009 (2), p.218-238

2009

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Nitrobenzene toxicity: QSAR correlations and mechanistic interpretations

Journal of physical organic chemistry, 2003-10, Vol.16 (10), p.811-817

2003

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A pivot algorithm for generating lowest energy structures of peptides

Chemical physics letters, 2001-10, Vol.346 (3), p.322-328

2001

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A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents

Journal of Chemical Information and Computer Sciences, 2003-11, Vol.43 (6), p.1794-1805

2003

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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

Bioorganic & medicinal chemistry letters, 2002-12, Vol.12 (23), p.3453-3457

2002

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Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [J. Chem. Inf. Comput. Sci. 42, 225-231 (2002)]

Journal of chemical information and modeling, 2005-03, Vol.45 (2), p.533-534

2005

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A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents

Journal of Chemical Information and Computer Sciences, 2003-11, Vol.43 (6), p.1806-1814

2003

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QSAR study of pharmacological permeabilities

ARKIVOC, 2009, Vol.2009 (2)

2009

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The Present Utility and Future Potential for Medicinal Chemistry of QSAR/QSPR with Whole Molecule Descriptors

ChemInform, 2003-05, Vol.34 (18), p.no-no

2003

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ChemInform Abstract: Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program

ChemInform, 2002-06, Vol.33 (22), p.no-no

2002

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ChemInform Abstract: QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids

ChemInform, 2002-05, Vol.33 (21), p.no-no

2002

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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

Perspective on the Relationship between Melting Points and Chemical Structure

Six-membered cyclic ureas as HIV-1 protease inhibitors: A QSAR study based on CODESSA PRO approach

The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors

Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program

QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids

Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition

Using a private desktop grid system for accelerating drug discovery

Quantum-chemical modeling of the tautomeric equilibria of modified anionic nucleic acid bases

Open Computing Grid for Molecular Science and Engineering

Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure−Property Relationships

QSPR Modelling of Lanthanide-Organic Complex Stability Constants

QSAR study of pharmacological permeabilities

Nitrobenzene toxicity: QSAR correlations and mechanistic interpretations

A pivot algorithm for generating lowest energy structures of peptides

A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents

Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships

Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [J. Chem. Inf. Comput. Sci. 42, 225-231 (2002)]

A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents

QSAR study of pharmacological permeabilities

The Present Utility and Future Potential for Medicinal Chemistry of QSAR/QSPR with Whole Molecule Descriptors

ChemInform Abstract: Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program

ChemInform Abstract: QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids

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