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Molecular Interaction Fields: Applications in Drug Discovery and ADME Prediction

1, 2005

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The adverse outcome pathway concept: A pragmatic tool in toxicology

Toxicology (Amsterdam), 2013-10, Vol.312, p.158-165

Vinken, Mathieu

2013

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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Kunal Roy, Supratik Kar, Rudra Narayan Das

1, 2015

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On exploring structure-activity relationships

Methods in molecular biology (Clifton, N.J.), 2013, Vol.993, p.81

Guha, Rajarshi

2013

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Targeting Antibiotic Resistance

Angewandte Chemie (International ed.), 2016-06, Vol.55 (23), p.6600-6626

International ed. in English, 2016

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Drug-Like Properties - Concepts, Structure, Design, and Methods from ADME to Toxicity Optimization (2nd Edition)

Li Di, Edward H Kerns

2, 2016

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Atomically Precise Au₂₅(SR)₁₈ Nanoparticles as Catalysts for the Selective Hydrogenation of α,β-Unsaturated Ketones and Aldehydes

Angewandte Chemie (International ed.), 2010-02, Vol.49 (7), p.1295-1298

2010

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Drug-like properties: concepts, structure design and methods : from ADME to toxicity optimization

2010

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Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions

Angewandte Chemie (International ed.), 2011-01, Vol.50 (1), p.314-318

International ed. in English, 2011

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Structure-Based Drug Discovery

1. Aufl., 2007

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Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876

ChemMedChem, 2016-10, Vol.11 (20), p.2261-2271

2016

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Fucoidan Characterization: Determination of Purity and Physicochemical and Chemical Properties

Marine drugs, 2020-11, Vol.18 (11), p.571

2020

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A Dual-Color Far-Red to Near-Infrared Firefly Luciferin Analogue Designed for Multiparametric Bioluminescence Imaging

Angewandte Chemie (International ed.), 2014-11, Vol.53 (48), p.13059-13063

International ed. in English, 2014

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Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments

Environmental science & technology, 2023-03, Vol.57 (9), p.3951-3961

2023

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Natural antioxidant polyphenols on inflammation management: Anti-glycation activity vs metalloproteinases inhibition

Critical reviews in food science and nutrition, 2018-04, Vol.58 (6), p.893-904

2018

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Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features

Molecules (Basel, Switzerland), 2020-07, Vol.25 (13), p.3088

2020

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Pharmacology of polymyxins: new insights into an 'old class of antibiotics

Future microbiology, 2013-06, Vol.8 (6), p.711-724

2013

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SAR and QSAR research on tyrosinase inhibitors using machine learning methods

SAR and QSAR in environmental research, 2021-02, Vol.32 (2), p.85-110

2021

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Virtual screening and structure-activity relationship study of novel BTK inhibitors in Traditional Chinese Medicine for the treatment of rheumatoid arthritis

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (24), p.15219-15233

2023

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Structure–activity relationships studies of quinoxalinone derivatives as aldose reductase inhibitors

European journal of medicinal chemistry, 2014-06, Vol.80, p.383-392

2014

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Combating breast cancer with non-steroidal aromatase inhibitors (NSAIs): Understanding the chemico-biological interactions through comparative SAR/QSAR study

European journal of medicinal chemistry, 2017-09, Vol.137, p.365-438

2017

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Targeting phosphatidylinositol 3‐kinase gamma (PI3Kγ): Discovery and development of its selective inhibitors

Medicinal research reviews, 2021-05, Vol.41 (3), p.1599-1621

2021

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Carboxylesterase Inhibitors: An Update

Current medicinal chemistry, 2018-01, Vol.25 (14), p.1627

2018

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4D-QSAR Molecular Modeling and Analysis of Flavonoid Derivatives as Acetylcholinesterase Inhibitors

Biological and Pharmaceutical Bulletin, 2021/07/01, Vol.44(7), pp.999-1006

2021

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Quantitative structure–activity relationships for chronic toxicity of alkyl-chrysenes and alkyl-benz[a]anthracenes to Japanese medaka embryos (Oryzias latipes)

Aquatic toxicology, 2015-02, Vol.159, p.109-118

2015

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Molecular Interaction Fields: Applications in Drug Discovery and ADME Prediction

The adverse outcome pathway concept: A pragmatic tool in toxicology

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

On exploring structure-activity relationships

Targeting Antibiotic Resistance

Drug-Like Properties - Concepts, Structure, Design, and Methods from ADME to Toxicity Optimization (2nd Edition)

Atomically Precise Au₂₅(SR)₁₈ Nanoparticles as Catalysts for the Selective Hydrogenation of α,β-Unsaturated Ketones and Aldehydes

Drug-like properties: concepts, structure design and methods : from ADME to toxicity optimization

Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions

Structure-Based Drug Discovery

Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876

Fucoidan Characterization: Determination of Purity and Physicochemical and Chemical Properties

A Dual-Color Far-Red to Near-Infrared Firefly Luciferin Analogue Designed for Multiparametric Bioluminescence Imaging

Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments

Natural antioxidant polyphenols on inflammation management: Anti-glycation activity vs metalloproteinases inhibition

Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features

Pharmacology of polymyxins: new insights into an 'old class of antibiotics

SAR and QSAR research on tyrosinase inhibitors using machine learning methods

Virtual screening and structure-activity relationship study of novel BTK inhibitors in Traditional Chinese Medicine for the treatment of rheumatoid arthritis

Structure–activity relationships studies of quinoxalinone derivatives as aldose reductase inhibitors

Combating breast cancer with non-steroidal aromatase inhibitors (NSAIs): Understanding the chemico-biological interactions through comparative SAR/QSAR study

Targeting phosphatidylinositol 3‐kinase gamma (PI3Kγ): Discovery and development of its selective inhibitors

Carboxylesterase Inhibitors: An Update

4D-QSAR Molecular Modeling and Analysis of Flavonoid Derivatives as Acetylcholinesterase Inhibitors

Quantitative structure–activity relationships for chronic toxicity of alkyl-chrysenes and alkyl-benz[a]anthracenes to Japanese medaka embryos (Oryzias latipes)

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