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QSAR Modeling: Where Have You Been? Where Are You Going To?

Journal of medicinal chemistry, 2014-06, Vol.57 (12), p.4977-5010

2014

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Alarms about structural alerts

Green chemistry : an international journal and green chemistry resource : GC, 2016-01, Vol.18 (16), p.4348-4360

2016

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Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity

Journal of chemical information and modeling, 2009-11, Vol.49 (11), p.2481-2488

2009

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QSAR Modeling and Prediction of Drug–Drug Interactions

Molecular pharmaceutics, 2016-02, Vol.13 (2), p.545-556

2016

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Universal Approach for Structural Interpretation of QSAR/QSPR Models

Molecular informatics, 2013-10, Vol.32 (9-10), p.843-853

2013

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Interpretation of QSAR Models Based on Random Forest Methods

Molecular informatics, 2011-06, Vol.30 (6-7), p.593-603

2011

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Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents

Journal of medicinal chemistry, 2015-10, Vol.58 (19), p.7681-7694

2015

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Application of Quantum Chemical Approximations to Environmental Problems: Prediction of Water Solubility for Nitro Compounds

Environmental science & technology, 2009-12, Vol.43 (24), p.9208-9215

2009

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Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds

Molecular informatics, 2010-05, Vol.29 (5), p.394-406

2010

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The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

Journal of computer-aided molecular design, 2008-10, Vol.22 (10), p.747-759

2008

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QSPR Models for Predicting of the Melting Points and Refractive Indices for Inorganic Substances: Components of the Optical Film-Forming Materials

International journal of quantitative structure-property relationships, 2020-01, Vol.5 (1), p.1-21

2020

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The effect of the structure of derivatives of nitrogen-containing heterocycles on their anti-influenza activity

Chemistry of heterocyclic compounds (New York, N.Y. 1965), 2019-05, Vol.55 (4-5), p.455-462

2019

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Per aspera ad astra: application of Simplex QSAR approach in antiviral research

Future medicinal chemistry, 2010-07, Vol.2 (7), p.1205-1226

2010

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New QSPR equations for prediction of aqueous solubility for military compounds

Chemosphere (Oxford), 2010-05, Vol.79 (8), p.887-890

2010

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Existing and Developing Approaches for QSAR Analysis of Mixtures

Molecular informatics, 2012-04, Vol.31 (3-4), p.202-221

2012

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Hierarchic system of QSAR models (1D-4D) on the base of simplex representation of molecular structure

Journal of molecular modeling, 2005-11, Vol.11 (6), p.457-467

2005

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Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

RSC advances, 2015-01, Vol.5 (95), p.77739-77745

2015

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Quantitative structure-activity relationship modelling of influenza M2 ion channels inhibitors

Journal of the Serbian Chemical Society, 2021, Vol.86 (7-8), p.625-637

2021

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Anti-enteroviral activity of new MDL-860 analogues: Synthesis, in vitro/in vivo studies and QSAR analysis

Bioorganic chemistry, 2019-04, Vol.85, p.487-497

2019

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QSAR analysis of [(biphenyloxy)propyl]isoxazoles: agents against coxsackievirus B3

Future medicinal chemistry, 2011-01, Vol.3 (1), p.15-27

2011

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Quantitative Structure−Activity Relationship Studies of [(Biphenyloxy)propyl]isoxazole Derivatives. Inhibitors of Human Rhinovirus 2 Replication

Journal of medicinal chemistry, 2007-08, Vol.50 (17), p.4205-4213

2007

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Computational assessment of environmental hazards of nitroaromatic compounds: influence of the type and position of aromatic ring substituents on toxicity

Structural chemistry, 2016-02, Vol.27 (1), p.191-198

2016

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Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ3

Bioorganic & medicinal chemistry, 2013-08, Vol.21 (15), p.4646-4661

2013

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Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ

Bioorganic & medicinal chemistry, 2013-08, Vol.21 (15), p.4646-4661

2013

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QSPR Prediction of Lipophilicity for Organic Compounds Using Random Forest Technique on the Basis of Simplex Representation of Molecular Structure

Molecular informatics, 2012-04, Vol.31 (3-4), p.273-280

2012

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QSAR Modeling: Where Have You Been? Where Are You Going To?

Alarms about structural alerts

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity

QSAR Modeling and Prediction of Drug–Drug Interactions

Universal Approach for Structural Interpretation of QSAR/QSPR Models

Interpretation of QSAR Models Based on Random Forest Methods

Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents

Application of Quantum Chemical Approximations to Environmental Problems: Prediction of Water Solubility for Nitro Compounds

Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

QSPR Models for Predicting of the Melting Points and Refractive Indices for Inorganic Substances: Components of the Optical Film-Forming Materials

The effect of the structure of derivatives of nitrogen-containing heterocycles on their anti-influenza activity

Per aspera ad astra: application of Simplex QSAR approach in antiviral research

New QSPR equations for prediction of aqueous solubility for military compounds

Existing and Developing Approaches for QSAR Analysis of Mixtures

Hierarchic system of QSAR models (1D-4D) on the base of simplex representation of molecular structure

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

Quantitative structure-activity relationship modelling of influenza M2 ion channels inhibitors

Anti-enteroviral activity of new MDL-860 analogues: Synthesis, in vitro/in vivo studies and QSAR analysis

QSAR analysis of [(biphenyloxy)propyl]isoxazoles: agents against coxsackievirus B3

Quantitative Structure−Activity Relationship Studies of [(Biphenyloxy)propyl]isoxazole Derivatives. Inhibitors of Human Rhinovirus 2 Replication

Computational assessment of environmental hazards of nitroaromatic compounds: influence of the type and position of aromatic ring substituents on toxicity

Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ3

Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ

QSPR Prediction of Lipophilicity for Organic Compounds Using Random Forest Technique on the Basis of Simplex Representation of Molecular Structure

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