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Imaging the Unimaginable: Desorption Electrospray Ionization - Imaging Mass Spectrometry (DESI-IMS) in Natural Product Research

Planta medica, 2018-07, Vol.84 (9-10), p.584-593

2018

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Quantum Machine Learning Algorithms for Drug Discovery Applications

Journal of chemical information and modeling, 2021-06, Vol.61 (6), p.2641-2647

2021

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Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI)

Molecular pharmaceutics, 2020-07, Vol.17 (7), p.2628-2637

2020

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A mass spectrometry-based assay for improved quantitative measurements of efflux pump inhibition

PloS one, 2015-05, Vol.10 (5), p.e0124814-e0124814

2015

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Déjà vu: Stimulating open drug discovery for SARS-CoV-2

Drug discovery today, 2020-05, Vol.25 (5), p.928-941

2020

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Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery

Molecular pharmaceutics, 2021-01, Vol.18 (1), p.403-415

2021

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Comparison of Machine Learning Models for the Androgen Receptor

Environmental science & technology, 2020-11, Vol.54 (21), p.13690-13700

2020

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Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction

Environmental science & technology, 2020-10, Vol.54 (19), p.12202-12213

2020

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Synergistic drug combinations and machine learning for drug repurposing in chordoma

Scientific reports, 2020-07, Vol.10 (1), p.12982-12982, Article 12982

2020

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Evaluation of Assay Central Machine Learning Models for Rat Acute Oral Toxicity Prediction

ACS sustainable chemistry & engineering, 2020-10, Vol.8 (42), p.16020-16027

2020

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The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase

Chemical research in toxicology, 2021-05, Vol.34 (5), p.1296-1307

2021

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Machine Learning Models Identify Inhibitors of SARS-CoV‑2

Journal of chemical information and modeling, 2021-09, Vol.61 (9), p.4224-4235

2021

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Predicting Drug Interactions with Human Equilibrative Nucleoside Transporters 1 and 2 Using Functional Knockout Cell Lines and Bayesian Modeling

Molecular pharmacology, 2021-02, Vol.99 (2), p.147-162

2021

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High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents

Journal of medicinal chemistry, 2023-11, Vol.66 (22), p.15230-15255

2023

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Bacterial efflux inhibitors are widely distributed in land plants

Journal of ethnopharmacology, 2021-03, Vol.267, p.113533, Article 113533

2021

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Multiple approaches to repurposing drugs for neuroblastoma

Bioorganic & medicinal chemistry, 2022-11, Vol.73, p.117043-117043, Article 117043

2022

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Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever Virus

Journal of chemical information and modeling, 2021-08, Vol.61 (8), p.3804-3813

2021

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Machine Learning for Discovery of GSK3β Inhibitors

ACS omega, 2020-10, Vol.5 (41), p.26551-26561

2020

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Repurposing Pyramax®, quinacrine and tilorone as treatments for Ebola virus disease

Antiviral research, 2020-10, Vol.182, p.104908-104908, Article 104908

2020

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Comparing Machine Learning Models for Aromatase (P450 19A1)

Environmental science & technology, 2020-12, Vol.54 (23), p.15546-15555

2020

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Synthesis of poly(1,2-glycerol carbonate)-paclitaxel conjugates and their utility as a single high-dose replacement for multi-dose treatment regimens in peritoneal cancer

Chemical science (Cambridge), 2017-12, Vol.8 (12), p.8443-8450

2017

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Pobody’s Nerfect: (Q)SAR works well for predicting bacterial mutagenicity of pesticides and their metabolites, but predictions for clastogenicity in vitro have room for improvement

Computational toxicology, 2024-06, Vol.30, p.100318, Article 100318

2024

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Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins

Bioorganic chemistry, 2022-03, Vol.120, p.105649-105649, Article 105649

2022

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Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase‑1

ACS omega, 2021-02, Vol.6 (4), p.3186-3193

2021

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A Machine Learning Strategy for Drug Discovery Identifies Anti-Schistosomal Small Molecules

ACS infectious diseases, 2021-02, Vol.7 (2), p.406-420

2021

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Imaging the Unimaginable: Desorption Electrospray Ionization - Imaging Mass Spectrometry (DESI-IMS) in Natural Product Research

Quantum Machine Learning Algorithms for Drug Discovery Applications

Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI)

A mass spectrometry-based assay for improved quantitative measurements of efflux pump inhibition

Déjà vu: Stimulating open drug discovery for SARS-CoV-2

Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery

Comparison of Machine Learning Models for the Androgen Receptor

Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction

Synergistic drug combinations and machine learning for drug repurposing in chordoma

Evaluation of Assay Central Machine Learning Models for Rat Acute Oral Toxicity Prediction

The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase

Machine Learning Models Identify Inhibitors of SARS-CoV‑2

Predicting Drug Interactions with Human Equilibrative Nucleoside Transporters 1 and 2 Using Functional Knockout Cell Lines and Bayesian Modeling

High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents

Bacterial efflux inhibitors are widely distributed in land plants

Multiple approaches to repurposing drugs for neuroblastoma

Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever Virus

Machine Learning for Discovery of GSK3β Inhibitors

Repurposing Pyramax®, quinacrine and tilorone as treatments for Ebola virus disease

Comparing Machine Learning Models for Aromatase (P450 19A1)

Synthesis of poly(1,2-glycerol carbonate)-paclitaxel conjugates and their utility as a single high-dose replacement for multi-dose treatment regimens in peritoneal cancer

Pobody’s Nerfect: (Q)SAR works well for predicting bacterial mutagenicity of pesticides and their metabolites, but predictions for clastogenicity in vitro have room for improvement

Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins

Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase‑1

A Machine Learning Strategy for Drug Discovery Identifies Anti-Schistosomal Small Molecules

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