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Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

Nature communications, 2023-01, Vol.14 (1), p.114-114, Article 114

2023

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The therapeutic potential of novel isobenzofuranones against Naegleria fowleri

International journal for parasitology -- drugs and drug resistance, 2021-12, Vol.17, p.139-149

2021

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A Class of Valuable (Pro-)Activity-Based Protein Profiling Probes: Application to the Redox-Active Antiplasmodial Agent, Plasmodione

JACS Au, 2021-05, Vol.1 (5), p.669-689

2021

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Synthesis of plasmodione metabolites and 13C-enriched plasmodione as chemical tools for drug metabolism investigation

Organic & biomolecular chemistry, 2018-01, Vol.16 (15), p.2647-2665

2018

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Propargyl Claisen rearrangement: allene synthesis and beyond

Chemical Society reviews, 2013-01, Vol.42 (2), p.458-471

2013

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Cover Feature: A Mild and Versatile Friedel–Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tunable Redox Potentials (Chem. Eur. J. 15/2020)

Chemistry : a European journal, 2020-03, Vol.26 (15), p.3192-3192

2020

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A Mild and Versatile Friedel‐Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tuneable Redox Potentials

Chemistry : a European journal, 2019-11, Vol.26 (15), p.3314-3325

2019

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A Mild and Versatile Friedel–Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tunable Redox Potentials

Chemistry : a European journal, 2020-03, Vol.26 (15), p.3314-3325

2020

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Direct C−H Radical Alkylation of 1,4‐Quinones

European journal of organic chemistry, 2021-07, Vol.2021 (25), p.3622-3633

2021

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Microwave-Assisted Domino Access to C 2 -Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

Organic letters, 2011-08, Vol.13 (16), p.4422-4425

2011

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General Synthesis of Substituted 1,2-Dihydropyridines

Journal of organic chemistry, 2014-11, Vol.79 (21), p.10655-10661

2014

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Synthesis of plasmodione metabolites and C-enriched plasmodione as chemical tools for drug metabolism investigation

Organic & biomolecular chemistry, 2018-04, Vol.16 (15), p.2647-2665

2018

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Propargyl Vinyl Ethers and Tertiary Skipped Diynes: Two Pluripotent Molecular Platforms for Diversity-Oriented Synthesis

Accounts of chemical research, 2016-04, Vol.49 (4), p.703-713

2016

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Coupled Domino Processes: Synthesis of 3,5,8-Trisubstituted Coumarins from Propargyl Vinyl Ethers

Journal of organic chemistry, 2013-09, Vol.78 (17), p.8853-8858

2013

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Synthesis of plasmodione metabolites and 13 C-enriched plasmodione as chemical tools for drug metabolism investigation

Organic & biomolecular chemistry, 2018-04, Vol.16 (15), p.2647-2665

2018

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Prospective de novo drug design with deep interactome learning

Nature communications, 2024-04, Vol.15

2024

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Merging Domino and Redox Chemistry: Stereoselective Access to Di- and Trisubstituted [beta],[gamma]-Unsaturated Acids and Esters

Chemistry : a European journal, 2012-03, Vol.18 (12), p.3468

2012

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Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study

Chemistry : a European journal, 2015-12, Vol.21 (50), p.18280-18289

2015

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Recent Advances in Direct C‐H Radical Alkylation of 1,4‐Quinones

European journal of organic chemistry, 2021-06, Vol.2021 (25), p.3622-3633

2021

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Microwave-Assisted Domino Access to C2-Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

Organic letters, 2011-08, Vol.13 (16), p.4422-4425

2011

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A Microwave-Assisted Domino Rearrangement of Propargyl Vinyl Ethers to Multifunctionalized Aromatic Platforms

Chemistry : a European journal, 2011-03, Vol.17 (12), p.3318-3321

2011

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Merging Domino and Redox Chemistry: Stereoselective Access to Di- and Trisubstituted β,γ-Unsaturated Acids and Esters

Chemistry : a European journal, 2012-03, Vol.18 (12), p.3468-3472

2012

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A Class of Valuable (Pro-)Activity-Based Protein Profiling Probes: Application to the Redox-Active Antiplasmodial Agent, Plasmodione

JACS Au, 2021, Vol.1 (5), p.669-689

2021

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ChemInform Abstract: Coupled Domino Processes: Synthesis of 3,5,8-Trisubstituted Coumarins from Propargyl Vinyl Ethers

ChemInform, 2014-02, Vol.45 (5), p.no-no

2014

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ChemInform Abstract: Microwave‐Assisted Domino Access to C 2 ‐Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

ChemInform, 2011-12, Vol.42 (52)

2011

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Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

The therapeutic potential of novel isobenzofuranones against Naegleria fowleri

A Class of Valuable (Pro-)Activity-Based Protein Profiling Probes: Application to the Redox-Active Antiplasmodial Agent, Plasmodione

Synthesis of plasmodione metabolites and 13C-enriched plasmodione as chemical tools for drug metabolism investigation

Propargyl Claisen rearrangement: allene synthesis and beyond

Cover Feature: A Mild and Versatile Friedel–Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tunable Redox Potentials (Chem. Eur. J. 15/2020)

A Mild and Versatile Friedel‐Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tuneable Redox Potentials

A Mild and Versatile Friedel–Crafts Methodology for the Diversity‐Oriented Synthesis of Redox‐Active 3‐Benzoylmenadiones with Tunable Redox Potentials

Direct C−H Radical Alkylation of 1,4‐Quinones

Microwave-Assisted Domino Access to C 2 -Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

General Synthesis of Substituted 1,2-Dihydropyridines

Synthesis of plasmodione metabolites and C-enriched plasmodione as chemical tools for drug metabolism investigation

Propargyl Vinyl Ethers and Tertiary Skipped Diynes: Two Pluripotent Molecular Platforms for Diversity-Oriented Synthesis

Coupled Domino Processes: Synthesis of 3,5,8-Trisubstituted Coumarins from Propargyl Vinyl Ethers

Synthesis of plasmodione metabolites and 13 C-enriched plasmodione as chemical tools for drug metabolism investigation

Prospective de novo drug design with deep interactome learning

Merging Domino and Redox Chemistry: Stereoselective Access to Di- and Trisubstituted [beta],[gamma]-Unsaturated Acids and Esters

Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study

Recent Advances in Direct C‐H Radical Alkylation of 1,4‐Quinones

Microwave-Assisted Domino Access to C2-Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

A Microwave-Assisted Domino Rearrangement of Propargyl Vinyl Ethers to Multifunctionalized Aromatic Platforms

Merging Domino and Redox Chemistry: Stereoselective Access to Di- and Trisubstituted β,γ-Unsaturated Acids and Esters

A Class of Valuable (Pro-)Activity-Based Protein Profiling Probes: Application to the Redox-Active Antiplasmodial Agent, Plasmodione

ChemInform Abstract: Coupled Domino Processes: Synthesis of 3,5,8-Trisubstituted Coumarins from Propargyl Vinyl Ethers

ChemInform Abstract: Microwave‐Assisted Domino Access to C 2 ‐Chain Functionalized Furans from Tertiary Propargyl Vinyl Ethers

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