M. Karelson

发表

Reaction field effects on the electronic structure of carbon radical and ionic centers

M. Zerner, M. Karelson, T. Tamm, 1990 .

ON THE N-PI BLUE SHIFT ACCOMPANYING SOLVATION

M. Zerner, M. Karelson, 1990 .

Quantum-Chemical Descriptors in QSAR/QSPR Studies.

M. Karelson, A. Katritzky, V. Lobanov, 1996, Chemical reviews.

Molecular descriptors in QSAR/QSPR

M. Karelson, 2000 .

QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes

M. Karelson, Dana Martin, S. Sild, 2008 .

Quantum Chemical Treatment of Molecules in Condensed Disordered Media

M. Karelson, 1997 .

Rational design of a series of novel amphipathic cell-penetrating peptides.

M. Karelson, Ű. Langel, R. Sillard, 2014, International journal of pharmaceutics.

Prediction of Critical Micelle Concentration Using a Quantitative Structure−Property Relationship Approach. 1. Nonionic Surfactants

M. Karelson, A. Katritzky, V. Lobanov, 1996 .

QSPR modeling of flash points: an update.

Iva B. Stoyanova-Slavova, M. Karelson, A. Katritzky, 2007, Journal of Molecular Graphics and Modelling.

Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction.

Svetoslav H. Slavov, M. Karelson, A. Katritzky, 2010, Chemical reviews.

QSPR Study of Critical Micelle Concentrations of Nonionic Surfactants

Svetoslav H. Slavov, Liliana M. Pacureanu, M. Karelson, 2008 .

QSPR as a means of predicting and understanding chemical and physical properties in terms of structure

M. Karelson, A. Katritzky, V. Lobanov, 1997 .

QSPR: the correlation and quantitative prediction of chemical and physical properties from structure

M. Karelson, A. Katritzky, V. Lobanov, 1995 .

Prediction of Cell-Penetrating Peptides.

M. Karelson, M. Hällbrink, 2015, Methods in molecular biology.

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

M. Karelson, A. Katritzky, V. Lobanov, 1996 .

Prediction of peptide IMS cross sections from extended molecular connectivity

M. Karelson, A. Katritzky, F. Tian, 2012 .

Correlation of liquid viscosity with molecular structure for organic compounds using different variable selection methods

M. Karelson, A. Katritzky, N. Trinajstic, 2002 .

Prediction of Gas Chromatographic Retention Times and Response Factors Using a General Quantitative Structure-Property Relationship Treatment

Alan R. Katritzky, Mati Karelson, Victor S. Lobanov, 1994 .

A Quantitative Structure−Property Relationship Study of Lithium Cation Basicities

M. Karelson, A. Katritzky, P. Burk, 2004 .

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

Uko Maran, Mati Karelson, Andre Lomaka, 2002, Current topics in medicinal chemistry.

Quantum-Chemical Descriptors in QSAR/QSPR Studies

Alan R. Katritzky, Mati Karelson, Victor S. Lobanov, 1996 .

Correlation of the photolysis half-lives of polychlorinated dibenzo-p-dioxins and dibenzofurans with molecular structure.

Iva B. Stoyanova-Slavova, M. Karelson, A. Katritzky, 2010, The journal of physical chemistry. A.

A COMPREHENSIVE QSAR TREATMENT OF THE GENOTOXICITY OF HETEROAROMATIC AND AROMATIC AMINES

Alan R. Katritzky, Uko Maran, Mati Karelson, 1999 .

QSAR studies on 1-phenylbenzimidazoles as inhibitors of the platelet-derived growth factor.

Mati Karelson, Dimitar A Dobchev, M. Karelson, 2005, Bioorganic & medicinal chemistry.

QSAR of Heterocyclic Compounds in Large Descriptor Spaces

M. Karelson, D. Dobchev, 2016 .

Novel computational models for predicting dopamine interactions

Iva B. Stoyanova-Slavova, M. Karelson, A. Katritzky, 2008, Experimental Neurology.

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2011 .

Perspective on the Relationship between Melting Points and Chemical Structure

Alan R. Katritzky, Mati Karelson, Ritu Jain, 2001 .

The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity.

M. Karelson, E. Benfenati, U. Maran, 2008, Chemosphere.

Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction

Tarmo Tamm, Mati Karelson, Indrek Tulp, 2013, Molecular informatics.

Physical, Chemical, and Technological Property Correlation with Chemical Structure: The Potential of QSPR

M. Karelson, A. Katritzky, D. Dobchev, 2006 .

Fragment-based development of HCV protease inhibitors for the treatment of hepatitis C.

M. Karelson, D. Dobchev, A. Merits, 2012, Current computer-aided drug design.

Multitarget Approach to Drug Candidates against Alzheimer’s Disease Related to AChE, SERT, BACE1 and GSK3β Protein Targets

M. Karelson, D. Dobchev, Larisa Ivanova, 2020, Molecules.

Identification of Natural Compounds against Neurodegenerative Diseases Using In Silico Techniques

M. Karelson, D. Dobchev, Larisa Ivanova, 2018, Molecules.

Refinement of a Quantitative Structure–Activity Relationship Model for Prediction of Cell-Penetrating Peptide Based Transfection Systems

M. Karelson, M. Hällbrink, Ü. Langel, 2017, International Journal of Peptide Research and Therapeutics.

Indole-like Trk receptor antagonists.

M. Karelson, T. Timmusk, J. Tammiku-Taul, 2016, European journal of medicinal chemistry.

Theoretical modeling of HPV: QSAR and novodesign with fragment approach.

M. Karelson, P. Burk, T. Tamm, 2014, Current computer-aided drug design.

Robust Modeling and Scaffold Hopping: Case Study Based on HIV Reverse Transcriptase Inhibitors Type-1 Data.

C. S. Panda, M. Karelson, A. Katritzky, 2016, Medicinal chemistry (Shariqah (United Arab Emirates)).

Quantum-Chemical Descriptors in QSAR

M. Karelson, 2003 .

QSAR modeling of anti-invasive activity of organic compounds using structural descriptors.

M. Karelson, A. Katritzky, V. S. Parmar, 2006, Bioorganic & medicinal chemistry.

Models for Simulating Molecular Properties in Condensed Systems

G. Diercksen, M. Karelson, 1997 .

Predicting Physical Properties from Molecular Structure

Alan R. Katritzky, J. E. Toomey, Victor S. Lobanov, 1994 .

10 – ELECTRONIC AND ELECTRICAL EFFECTS OF SOLVENTS

M. Karelson, 2014 .

QSAR modeling of the antifungal activity against Candida albicans for a diverse set of organic compounds.

Svetoslav H. Slavov, M. Karelson, A. Katritzky, 2008, Bioorganic & medicinal chemistry.

MANF regulates unfolded protein response and neuronal survival through its ER-located receptor IRE1α

M. Karelson, M. Saarma, J. Huiskonen, 2020, bioRxiv.

Quantitative Structure–Property Relationship Studies on Ostwald Solubility and Partition Coefficients of Organic Solutes in Ionic Liquids

Svetoslav H. Slavov, Iva B. Stoyanova-Slavova, M. Karelson, 2008 .

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.

M. Karelson, U. Maran, C. Hetényi, 2003 .

QSAR modeling of the inhibition of glycogen synthase kinase-3.

Liliana M. Pacureanu, M. Karelson, A. Katritzky, 2006, Bioorganic & medicinal chemistry.

Reparameterized Austin Model 1 for quantitative structure–property relationships in liquid media

M. Karelson, D. Dobchev, 2006, Journal of molecular modeling.

Quantitative structure–activity relationship modeling of bioconcentration factors of polychlorinated biphenyls

Svetoslav H. Slavov, M. Karelson, A. Katritzky, 2010 .

The Electrophilic Substitution of Heteroaromatic Compounds. Part 53. The Experimental Orientation in the Electrophilic Substitution of 1-Phenylpyridinium Cations, and a Theretical Treatment of Electrophilic Substitution Orientations in N-Phenylheterocycles

M. Karelson, A. Katritzky, G. P. Ford, 1986 .

Interpretation of Quantitative Structure—Property and —Activity Relationships.

Emilio Benfenati, Subhash C. Basak, Alan R. Katritzky, 2001 .

A gas phase ab initio study of the Menshutkin reaction

M. Karelson, T. Pakkanen, U. Maran, 1997 .

The effect of graphitization catalyst on the structure and porosity of SiC derived carbons

M. Karelson, M. Käärik, J. Leis, 2008 .

Quantitative measures of solvent polarity.

M. Karelson, A. Katritzky, Hongfang Yang, 2004, Chemical reviews.

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

Robin D. Rogers, Alan R. Katritzky, Mati Karelson, 2002 .

Novel agonist of GDNF family ligand receptor RET for the treatment of experimental neuropathy

M. Karelson, E. Kalso, M. Saarma, 2016, bioRxiv.

QSPR Modelling of Lanthanide‐Organic Complex Stability Constants

M. Karelson, A. Lomaka, Ruslan Svetlitski, 2006 .

A comparative semi-empirical study of pyrrole and phosphole oligomers

M. Zerner, M. Karelson, 1994 .

Comparison Between 2D and 3D‐QSAR Approaches to Correlate Inhibitor Activity for a Series of Indole Amide Hydroxamic Acids

Svetoslav H. Slavov, M. Karelson, A. Katritzky, 2007 .

Structural bioinformatics Structure-based calculation of drug efficiency indices

M. Karelson, U. Maran, C. Hetényi, 2007 .

COMPREHENSIVE DESCRIPTORS FOR STRUCTURAL AND STATISTICAL ANALYSIS. 1 : CORRELATIONS BETWEEN STRUCTURE AND PHYSICAL PROPERTIES OF SUBSTITUTED PYRIDINES

Alan R. Katritzky, J. E. Toomey, Victor S. Lobanov, 1996 .

A pivot algorithm for generating lowest energy structures of peptides

M. Karelson, A. Lomaka, 2001 .

QSAR study of antiplatelet agents.

Liliana M. Pacureanu, M. Karelson, A. Katritzky, 2006, Bioorganic & medicinal chemistry.

Fourier transform ion cyclotron resonance mass spectrometry and theoretical studies of gas phase SN2 nucleophilic substitution reactions at sp3-carbon atoms

M. Zerner, M. Karelson, A. Katritzky, 1998 .

Propotropic tautomerism of heteroaromatic compounds

P. A. Harris, M. Karelson, A. Katritzky, 1991 .

A quantitative assessment of the merostabilization energy of carbon-centered radicals

M. Zerner, M. Karelson, A. Katritzky, 1986 .

Theoretical study of aminoalkylation in the Mannich reaction of furan with methyleneimminium salt

M. Karelson, A. Katritzky, U. Maran, 1998 .

Prototropic Tautomerism of Heteroaromatic Compounds

P. A. Harris, M. Karelson, A. Katritzky, 1991 .

of Molecular Design

Mati Karelson, BioChem Press, Rein Hiob, 2002 .

QSPR Treatment of Solvent Scales

Yilin Wang, Alan R. Katritzky, Sulev Sild, 1999, J. Chem. Inf. Comput. Sci..

Solvent polarity effects on the conformational equilibrium of N-1-naphthylamides

M. Karelson, J. Leis, K. Klika, 1998 .

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Alan R. Katritzky, Mati Karelson, Michael C. Zerner, 1993, J. Comput. Chem..

Molecular Properties and Spectra in Solution

M. Karelson, 1997 .

A comparative QSAR study of SVM and PPR in the correlation of lithium cation basicities

M. Karelson, A. Katritzky, Yueying Ren, 2009 .

QSPR study of the first and second critical micelle concentrations of cationic surfactants

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2009, Comput. Chem. Eng..

Quantitative Measures of Solvent Polarity

M. Karelson, A. Katritzky, Hongfang Yang, 2004 .

QSAR study of mosquito repellents using Codessa Pro.

Mati Karelson, Indrek Tulp, Dimitar A Dobchev, 2006, Bioorganic & medicinal chemistry letters.

QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors.

Alexandre Varnek, Mati Karelson, Minati Kuanar, 2005, Bioorganic & medicinal chemistry.

QSPR treatment of rat blood:air, saline:air and olive oil:air partition coefficients using theoretical molecular descriptors.

Mati Karelson, Minati Kuanar, M. Karelson, 2004, Bioorganic & medicinal chemistry.

Design and Validation of Novel Chikungunya Virus Protease Inhibitors

M. Karelson, T. Ahola, P. Das, 2016, Antimicrobial Agents and Chemotherapy.

The classification of solvents by combining classical QSPR methodology with principal component analysis.

Mati Karelson, Minati Kuanar, M. Karelson, 2005, The journal of physical chemistry. A.

RNA Interference-Guided Targeting of Hepatitis C Virus Replication with Antisense Locked Nucleic Acid-Based Oligonucleotides Containing 8-oxo-dG Modifications

M. Karelson, M. Saarma, A. Selyutina, 2015, PloS one.

A general approach to the synthesis of 5-S-functionalized pyrimidine nucleosides and their analogues.

M. Karelson, D. Kananovich, M. Lopp, 2014, Organic & biomolecular chemistry.

Electron impact ionization mass spectrometry and intramolecular cyclization in 2-substituted pyrimidin-4(3H)-ones

M. Karelson, K. Pihlaja, P. Oksman, 1994, Journal of the American Society for Mass Spectrometry.

Cation tagging for monitoring gas phase reactions. Electrospray FTICR/MS study of ester pyrolysis

M. Karelson, A. Katritzky, P. Shipkova, 1998 .

Semiempirical study of the solvent effect on the Menshutkin reaction

M. Karelson, T. Pakkanen, U. Maran, 1994 .

A theoretical treatment of solvent effects on the tautomeric equilibria of five-membered rings with two heteroatoms

M. Zerner, M. Karelson, A. Katritzky, 1990 .

Small-Molecule Inhibitors of the RNA M6A Demethylases FTO Potently Support the Survival of Dopamine Neurons

M. Karelson, M. Saarma, O. Bondarenko, 2021, International journal of molecular sciences.

Discovery of Small Molecules that Activate RNA Methylation through Cooperative Binding to the METTL3-14-WTAP Complex Active Site.

M. Karelson, E. Mervaala, P. Koivisto, 2019, Cell reports.

AROMATICITY AS A QUANTITATIVE CONCEPT. 7. AROMATICITY REAFFIRMED AS A MULTIDIMENSIONAL CHARACTERISTIC

Alan R. Katritzky, Sulev Sild, Mati Karelson, 1998 .

SIMONA SELBERG MOLECULAR DESIGN OF INHIBITORS FOR RNA METHYLATION REGULATING ENZYMES

M. Karelson, 2017 .

AM1 calculations of reaction field effects on the tautomeric equilibria of nucleic acid pyrimidine and purine bases and their 1-methyl analogs

Alan R. Katritzky, Mati Karelson, M. Karelson, 1991 .

Human Tropomyosin-Related Kinase A and B: from Transcript Diversity to Novel Inhibitors. Inimese tropomüosiin-seoselised kinaasid A ja B: transkriptide mitmekesisusest uudsete inhibiitoriteni

M. Karelson, T. Timmusk, 2017 .

Neuroprotective Potential of a Small Molecule RET Agonist in Cultured Dopamine Neurons and Hemiparkinsonian Rats

M. Karelson, M. Saarma, Konsta Valkonen, 2021, Journal of Parkinson's disease.

GDNF receptor agonist supports dopamine neurons in vitro and protects their function in animal model of Parkinson’s

M. Karelson, M. Saarma, E. Ronken, 2019, bioRxiv.

HIV Replication Is Increased by RNA Methylation METTL3/METTL14/WTAP Complex Activators

M. Karelson, A. Merits, K. Herodes, 2021, ACS omega.

QSAR treatment of drugs transfer into human breast milk.

Mati Karelson, Dimitar A Dobchev, M. Karelson, 2005, Bioorganic & medicinal chemistry.

Glial Cell Line–Derived Neurotrophic Factor Receptor Rearranged During Transfection Agonist Supports Dopamine Neurons In Vitro and Enhances Dopamine Release In Vivo

M. Karelson, M. Saarma, E. Ronken, 2019, Movement Disorders.

A Novel Small Molecule GDNF Receptor RET Agonist, BT13, Promotes Neurite Growth from Sensory Neurons in Vitro and Attenuates Experimental Neuropathy in the Rat

M. Karelson, E. Kalso, M. Saarma, 2017, Front. Pharmacol..

Correlation of blood-brain penetration and human serum albumin binding with theoretical descriptors

Mati Karelson, Tarmo Tamm, Andre Lomaka, 2008 .

QUANTUM CHEMICAL MODELLING OF THE EFFECT OF PROLINE RESIDUES ON PEPTIDE CONFORMATION

J. Järv, M. Karelson, K. Sak, 1998 .

Relationships of Critical Temperatures to Calculated Molecular Properties

Alan R. Katritzky, Mati Karelson, Lan Mu, 1998, J. Chem. Inf. Comput. Sci..

A Unified Treatment of Solvent Properties

Yilin Wang, Alan R. Katritzky, Mati Karelson, 1999, J. Chem. Inf. Comput. Sci..

Epitranscriptomics of Ischemic Heart Disease—The IHD-EPITRAN Study Design and Objectives

M. Karelson, M. Lalowski, S. Katayama, 2021, International journal of molecular sciences.

The Impact of Software Used and the Type of Target Protein on Molecular Docking Accuracy

M. Karelson, Larisa Ivanova, L. Ivanova, 2022, Molecules.

Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands

M. Karelson, M. Saarma, J. Tammiku-Taul, 2018, ACS omega.

Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?

Mati Karelson, Dimitar Dobchev, M. Karelson, 2016, Expert opinion on drug discovery.

Complexes of oligopyrrole dications with inorganic anions: a comparative theoretical HF/post-HF study

M. Karelson, T. Tamm, J. Tamm, 2005 .

Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers

Alan R. Katritzky, Sulev Sild, Mati Karelson, 1998, J. Chem. Inf. Comput. Sci..

A quantum‐mechanical study of oxidized oligopyrroles

M. Karelson, T. Tamm, J. Tamm, 1999 .

Novel RET agonist for the treatment of experimental neuropathies

M. Karelson, E. Kalso, H. Santos, 2020, Molecular pain.

QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene

Alan R. Katritzky, Mati Karelson, Ruslan Petrukhin, 2001, J. Chem. Inf. Comput. Sci..

Estimating the toxicities of organic chemicals in activated sludge process.

Svetoslav H. Slavov, Mati Karelson, Kaido Tämm, 2010, Water research.

QSPR modeling of UV absorption intensities

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2007, J. Comput. Aided Mol. Des..

1,3-Thiazolbenzamide Derivatives as Chikungunya Virus nsP2 Protease Inhibitors

M. Karelson, J. Tammiku-Taul, A. Merits, 2021, ACS omega.

Interpretation of Quantitative Structure-Property and -Activity Relationships

Emilio Benfenati, Subhash C. Basak, Alan R. Katritzky, 2001, J. Chem. Inf. Comput. Sci..

Modeling of the Amino Acid Side Chain Effects on Peptide Conformation

J. Järv, M. Karelson, K. Sak, 1999 .

Novel RNA m6A methyltransferase METTL16 inhibitors

M. Karelson, I. Ilves, K. Herodes, 2023, bioRxiv.

General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds

Alan R. Katritzky, Sulev Sild, Mati Karelson, 1998, J. Chem. Inf. Comput. Sci..

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

M. Karelson, A. Lomaka, 2002 .

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins

Uko Maran, Mati Karelson, Csaba Hetényi, 2003, J. Chem. Inf. Comput. Sci..

QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients

Yilin Wang, Alan R. Katritzky, Sulev Sild, 1998, J. Chem. Inf. Comput. Sci..

Study of Radical Merostabilization by Electrospray FTICR/MS

M. Zerner, M. Karelson, T. Tamm, 1996 .

Relevance of theoretical molecular descriptors in quantitative structure-activity relationship analysis of alpha1-adrenergic receptor antagonists.

M. Karelson, M. Menziani, P. D. De Benedetti, 1999, Bioorganic & medicinal chemistry.

UV-visible spectra of some nitro-substituted porphyrins

Toomas Tamm, Mati Karelson, Michael C. Zerner, 1995 .

MANF regulates neuronal survival and UPR through its ER-located receptor IRE1α.

M. Karelson, M. Saarma, J. Huiskonen, 2023, Cell reports.

A QSPR Study of the Solubility of Gases and Vapors in Water

Alan R. Katritzky, Mati Karelson, Lan Mu, 1996, J. Chem. Inf. Comput. Sci..

QSAR study of pharmacological permeabilities

Mati Karelson, Tarmo Tamm, Andre Lomaka, 2009 .

Prediction of liquid viscosity for organic compounds by a quantitative structure–property relationship

Takahiro Suzuki, Nenad Trinajstić, Alan R. Katritzky, 2000 .

Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment

Alan R. Katritzky, Mati Karelson, Victor S. Lobanov, 1996, J. Chem. Inf. Comput. Sci..

Structure-based calculation of drug efficiency indices

Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran, 2007, Bioinform..

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

Ritu Jain, Robin D. Rogers, Alan R. Katritzky, 2002, J. Chem. Inf. Comput. Sci..

Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship

Alan R. Katritzky, Mati Karelson, Victor S. Lobanov, 1998, J. Chem. Inf. Comput. Sci..

Theoretical treatment of solvent effects on electronic spectroscopy

Mati Karelson, Michael C. Zerner, M. Zerner, 1992 .

Rational Design of Novel Anticancer Small-Molecule RNA m6A Demethylase ALKBH5 Inhibitors

M. Karelson, E. Kankuri, Simona Selberg, 2021, ACS omega.

Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory

Alan R. Katritzky, Mati Karelson, Michael C. Zerner, 1989 .

Theoretical study of the keto-enol tautomerism in aqueous solutions

M. Karelson, A. Katritzky, U. Maran, 1996 .

GEOMETRY OPTIMISATION AT THE SEMIEMPIRICAL SELF-CONSISTENT-REACTION-FIELD LEVEL USING THE AMPAC AND MOPAC PROGRAMS

M. Zerner, M. Karelson, H. Rzepa, 1991 .

M. O. calculations applicable to condensed phases: The combination of self-consistent reaction field theory with semi-empirical quantum-chemical methods

Alan R. Katritzky, Mati Karelson, Michael C. Zerner, 1989 .

Theoretical study of the effect of counterions on the structure of pyrrole oligomers

M. Karelson, T. Tamm, J. Tamm, 2002 .

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

Mati Karelson, Andre Lomaka, Iiris Kahn, 2014, Molecular informatics.

Aromaticity as a Quantitative Concept. 6. Aromaticity Variation with Molecular Environment.

Alan R. Katritzky, Mati Karelson, M. Karelson, 1996, The Journal of organic chemistry.

In silico machine learning methods in drug development.

Girinath G. Pillai, Mati Karelson, Dimitar A Dobchev, 2014, Current topics in medicinal chemistry.

Using artificial neural networks to predict cell-penetrating compounds

Mati Karelson, Dimitar Dobchev, M. Karelson, 2011, Expert opinion on drug discovery.

Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies

Dan C. Fara, Hongfang Yang, Takahiro Suzuki, 2004, J. Chem. Inf. Model..

QSPR and QSAR Models Derived with CODESSA Multipurpose Statistical Analysis Software

Alan R. Katritzky, Uko Maran, Mati Karelson, 1999 .

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.

M. Karelson, U. Maran, Iiris Kahn, 2005 .

Multicavity SCRF calculation of ion hydration energies

G. Diercksen, M. Zerner, M. Karelson, 1994 .

The structure and function of YTHDF epitranscriptomic m6A readers.

M. Karelson, M. Lalowski, E. Kankuri, 2023, Trends in pharmacological sciences.

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants

Dan C. Fara, Uko Maran, Mati Karelson, 2005, J. Chem. Inf. Model..

Rapid QSPR model development technique for prediction of vapor pressure of organic compounds

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2007, Comput. Chem. Eng..

QSPR of 3-aryloxazolidin-2-one antibacterials.

Mati Karelson, M. Karelson, A. Katritzky, 2004, Bioorganic & medicinal chemistry.

Multicavity reaction field method for the solvent effect description in flexible molecular systems

Toomas Tamm, Mati Karelson, Michael C. Zerner, 1993 .

QSPR modeling of hyperpolarizabilities

Mati Karelson, Dimitar Dobchev, Liliana M. Pacureanu, 2007, Journal of molecular modeling.

Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships

Alan R. Katritzky, Mati Karelson, Andre Lomaka, 2002, J. Chem. Inf. Comput. Sci..

Reaction field effects on the electron distribution and chemical reactivity of molecules

M. Zerner, M. Karelson, A. Katritzky, 1986 .

A quantitative assessment of the merostabilization energy of carbon-centered radicals

M. Zerner, M. Karelson, A. Katritzky, 1986 .

Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2008, J. Chem. Inf. Model..

QSPR and QSAR Models Derived Using Large Molecular Descriptor Spaces. A Review of CODESSA Applications

Alan R. Katritzky, Uko Maran, Mati Karelson, 1999 .

Small molecule activation of m6A mRNA methylation as a novel approach for neuroprotection

M. Karelson, M. Saarma, Li-Ying Yu, 2023, bioRxiv.

Small-molecule inhibitors of the RNA m6A demethylase FTO potently support the survival of dopamine neurons

M. Karelson, M. Saarma, O. Bondarenko, 2021, bioRxiv.

Neural Networks Convergence Using Physicochemical Data

Alan R. Katritzky, Mati Karelson, Dimitar A. Dobchev, 2006, J. Chem. Inf. Model..

A General QSPR Treatment for Dielectric Constants of Organic Compounds

Sulev Sild, Mati Karelson, M. Karelson, 2002, J. Chem. Inf. Comput. Sci..

Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach

Alan R. Katritzky, Uko Maran, Mati Karelson, 1997, J. Chem. Inf. Comput. Sci..

QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale

Alan R. Katritzky, Mati Karelson, Lan Mu, 1997, J. Chem. Inf. Comput. Sci..

A semiempirical study of heterocycle oligomers and polymers in different dielectric media

M. Karelson, J. Calais, M. Strandberg, 1995 .

QSPR Analysis of Flash Points

Ritu Jain, Alan R. Katritzky, Mati Karelson, 2001, J. Chem. Inf. Comput. Sci..

Correlation and Prediction of the Refractive Indices of Polymers by QSPR

Alan R. Katritzky, Sulev Sild, Mati Karelson, 1998, J. Chem. Inf. Comput. Sci..

Skin permeation rate as a function of chemical structure.

Alexandre Varnek, Mati Karelson, Kaido Tämm, 2006, Journal of medicinal chemistry.

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

Ritu Jain, Robin D. Rogers, Alan R. Katritzky, 2002, J. Chem. Inf. Comput. Sci..

Discovery of Small Molecu les that Activate RNA Methylation through Cooperative Binding to the METTL 3-14-WTAP Complex Active Site Graphical

M. Karelson, E. Mervaala, P. Koivisto, 2019 .

QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors

Alan R. Katritzky, Mati Karelson, Liliana M. Pacureanu, 2007, J. Chem. Inf. Model..

Prediction of Critical Micelle Concentration Using a Quantitative Structure-Property Relationship Approach

Shah, M. Karelson, A. Katritzky, 1997, Journal of colloid and interface science.

Quantitative Structure–Activity Relationship (QSAR) Modeling of EC50 of Aquatic Toxicities for Daphnia magna

Mati Karelson, Iiris Kahn, M. Karelson, 2009, Journal of toxicology and environmental health. Part A.

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

Mati Karelson, Andre Lomaka, M. Karelson, 2002, Bioorganic & medicinal chemistry letters.

Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction.

M. Karelson, A. Katritzky, S. Slavov, 2010, Chemical reviews.

Application of the QSPR approach to the boiling points of azeotropes.

Mati Karelson, Tarmo Tamm, Kaido Tämm, 2011, The journal of physical chemistry. A.

Correlation of blood-brain penetration using structural descriptors.

Alexandre Varnek, Mati Karelson, Minati Kuanar, 2006, Bioorganic & medicinal chemistry.

Structurally diverse quantitative structure--property relationship correlations of technologically relevant physical properties

M. Karelson, A. Katritzky, Katritzky, 2000, Journal of chemical information and computer sciences.

Quantitative Relationship between Rate Constants of the Gas-Phase Homolysis of C-X Bonds and Molecular Descriptors

Mati Karelson, Rein Hiob, M. Karelson, 2000, J. Chem. Inf. Comput. Sci..