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Ligand-Receptor Interactions and Machine Learning in GCGR and GLP-1R Drug Discovery

International journal of molecular sciences, 2021-04, Vol.22 (8), p.4060

2021

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Supramolecular Complexes of Graphene Oxide with Porphyrins: An Interplay between Electronic and Magnetic Properties

Molecules (Basel, Switzerland), 2019-02, Vol.24 (4), p.688

2019

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827 Streamlining design of safe and effective TCR therapies with AI

Journal for immunotherapy of cancer, 2021-11, Vol.9 (Suppl 2), p.A866-A866

2021

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Cyclodextrins as multifunctional excipients: Influence of inclusion into β-cyclodextrin on physicochemical and biological properties of tebipenem pivoxil

PloS one, 2019-01, Vol.14 (1), p.e0210694-e0210694

2019

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Complex of rutin with β-cyclodextrin as potential delivery system

PloS one, 2015-03, Vol.10 (3), p.e0120858

2015

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β-Cyclodextrin complexation as an effective drug delivery system for meropenem

European journal of pharmaceutics and biopharmaceutics, 2016-02, Vol.99, p.24-34

2016

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Spectroscopic identification of intermediates and final products of the chiral pool synthesis of sutezolid

Journal of molecular structure, 2020-10, Vol.1217, p.128396, Article 128396

2020

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Virtual Screening of C. Sativa Constituents for the Identification of Selective Ligands for Cannabinoid Receptor 2

International journal of molecular sciences, 2020-07, Vol.21 (15), p.5308

2020

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Quantitative structure-retention relationship model for the determination of naratriptan hydrochloride and its impurities based on artificial neural networks coupled with genetic algorithm

Talanta (Oxford), 2017-03, Vol.164, p.164-174

2017

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The Radiation Sterilization of Ertapenem Sodium in the Solid State

Molecules (Basel, Switzerland), 2019-08, Vol.24 (16), p.2944

2019

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Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-04, Vol.140, p.132-139

2015

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Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

Biomolecules (Basel, Switzerland), 2020-06, Vol.10 (6), p.913

2020

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Enhanced pharmacological efficacy of sumatriptan due to modification of its physicochemical properties by inclusion in selected cyclodextrins

Scientific reports, 2018-11, Vol.8 (1), p.16184-13, Article 16184

2018

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Hydrophilic interaction chromatography (HILIC) for the determination of cetirizine dihydrochloride

Arabian journal of chemistry, 2019-12, Vol.12 (8), p.4204-4211

2019

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Effects of inclusion of cetirizine hydrochloride in β-cyclodextrin

Journal of inclusion phenomena and macrocyclic chemistry, 2018, Vol.91 (3-4), p.149-159

2018

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Machine Learning Approach for Determining the Formation of β-Lactam Antibiotic Complexes with Cyclodextrins Using Multispectral Analysis

Molecules (Basel, Switzerland), 2019-02, Vol.24 (4), p.743

2019

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Prediction of HPLC retention times of tebipenem pivoxyl and its degradation products in solid state by applying adaptive artificial neural network with recursive features elimination

Talanta (Oxford), 2015-05, Vol.137, p.174-181

2015

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Infrared, Raman and ultraviolet with circular dichroism analysis and theoretical calculations of tedizolid

Journal of molecular structure, 2016-07, Vol.1115, p.136-143

2016

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Application of spectroscopic methods (FT-IR, Raman, ECD and NMR) in studies of identification and optical purity of radezolid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2017-08, Vol.183, p.116-122

2017

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Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

BMC chemistry, 2017-08, Vol.11 (1), p.1, Article 82

2017

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Vibrational (FT-IR, Raman) and DFT analysis on the structure of labile drugs. The case of crystalline tebipenem and its ester

Journal of molecular structure, 2017-04, Vol.1134, p.135-142

2017

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THE POSSIBILITY OF USING X-RAY POWDER DIFFRACTION, INFRARED AND RAMAN SPECTROSCOPY IN THE STUDY OF THE IDENTIFICATION OF STRUCTURAL POLYMORPHS OF ACETAMINOPHEN

Acta Poloniae pharmaceutica, 2019-12, Vol.76 (6), p.997-1004

2019

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Computational study of influence of diffuse basis functions on geometry optimization and spectroscopic properties of losartan potassium

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.137, p.1029-1038

2015

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Solid-state stability studies of crystal form of tebipenem

Drug development and industrial pharmacy, 2016-02, Vol.42 (2), p.238-244

2016

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Tebipenem pivoxyl. Derivative spectroscopy study of stability of the first oral carbapenem

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-01, Vol.135, p.14-19

2015

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Ligand-Receptor Interactions and Machine Learning in GCGR and GLP-1R Drug Discovery

Supramolecular Complexes of Graphene Oxide with Porphyrins: An Interplay between Electronic and Magnetic Properties

827 Streamlining design of safe and effective TCR therapies with AI

Cyclodextrins as multifunctional excipients: Influence of inclusion into β-cyclodextrin on physicochemical and biological properties of tebipenem pivoxil

Complex of rutin with β-cyclodextrin as potential delivery system

β-Cyclodextrin complexation as an effective drug delivery system for meropenem

Spectroscopic identification of intermediates and final products of the chiral pool synthesis of sutezolid

Virtual Screening of C. Sativa Constituents for the Identification of Selective Ligands for Cannabinoid Receptor 2

Quantitative structure-retention relationship model for the determination of naratriptan hydrochloride and its impurities based on artificial neural networks coupled with genetic algorithm

The Radiation Sterilization of Ertapenem Sodium in the Solid State

Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

Enhanced pharmacological efficacy of sumatriptan due to modification of its physicochemical properties by inclusion in selected cyclodextrins

Hydrophilic interaction chromatography (HILIC) for the determination of cetirizine dihydrochloride

Effects of inclusion of cetirizine hydrochloride in β-cyclodextrin

Machine Learning Approach for Determining the Formation of β-Lactam Antibiotic Complexes with Cyclodextrins Using Multispectral Analysis

Prediction of HPLC retention times of tebipenem pivoxyl and its degradation products in solid state by applying adaptive artificial neural network with recursive features elimination

Infrared, Raman and ultraviolet with circular dichroism analysis and theoretical calculations of tedizolid

Application of spectroscopic methods (FT-IR, Raman, ECD and NMR) in studies of identification and optical purity of radezolid

Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

Vibrational (FT-IR, Raman) and DFT analysis on the structure of labile drugs. The case of crystalline tebipenem and its ester

THE POSSIBILITY OF USING X-RAY POWDER DIFFRACTION, INFRARED AND RAMAN SPECTROSCOPY IN THE STUDY OF THE IDENTIFICATION OF STRUCTURAL POLYMORPHS OF ACETAMINOPHEN

Computational study of influence of diffuse basis functions on geometry optimization and spectroscopic properties of losartan potassium

Solid-state stability studies of crystal form of tebipenem

Tebipenem pivoxyl. Derivative spectroscopy study of stability of the first oral carbapenem

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