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Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies

Molecular informatics, 2022-04, Vol.41 (4), p.e2100138-n/a

2022

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Correction: Global reactivity models are impactful in industrial synthesis applications

Journal of cheminformatics, 2023-03, Vol.15 (1), p.30-30, Article 30

2023

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Global reactivity models are impactful in industrial synthesis applications

Journal of cheminformatics, 2023-02, Vol.15 (1), p.20-11, Article 20

2023

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Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task

Journal of chemical information and modeling, 2022-07, Vol.62 (14), p.3307-3315

2022

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Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks

Journal of chemical information and modeling, 2022-05, Vol.62 (9), p.2111-2120

2022

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Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts

Chemical science (Cambridge), 2024-08, Vol.15 (34), p.13618-13630

2024

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Design of Bioactive Peptides from Naturally Occurring μ-Conotoxin Structures

The Journal of biological chemistry, 2012-09, Vol.287 (37), p.31382-31392

2012

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Quantum extremal learning

Quantum machine intelligence, 2024-12, Vol.6 (2), Article 42

2024

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Influence of the Nucleobase and Anchimeric Assistance of the Carboxyl Acid Groups in the Hydrolysis of Amino Acid Nucleoside Phosphoramidates

Chemistry : a European journal, 2012-01, Vol.18 (3), p.857-868

2012

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Sedoheptulose accumulation under CO2 enrichment in leaves of Kalanchoë pinnata: a novel mechanism to enhance C and P homeostasis?

Journal of experimental botany, 2013-04, Vol.64 (6), p.1497-1507

2013

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Reactivity of Amino Acid Nucleoside Phosphoramidates: A Mechanistic Quantum Chemical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (1), p.644-652

2012

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Metabolism of galactosyl-oligosaccharides in Stellaria media – Discovery of stellariose synthase, a novel type of galactosyltransferase

Phytochemistry (Oxford), 2010-07, Vol.71 (10), p.1095-1103

2010

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Structure Determination of the Top-Loop of the Conserved 3′-Terminal Secondary Structure in the Genome of Flaviviruses

Chembiochem : a European journal of chemical biology, 2010-07, Vol.11 (10), p.1404-1412

2010

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Sedoheptulose accumulation under CO2enrichment in leaves of Kalanchoë pinnata: a novel mechanism to enhance C and P homeostasis?

Journal of experimental botany, 2013-01, Vol.64 (6), p.1497-1507

2013

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34. Miniaturization of μ-Conotoxins as Peptidomimetic Strategy to Develop Selective Sodium Channel Blockers

Toxicon (Oxford), 2012-08, Vol.60 (2), p.112-112

2012

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Isolation and Characterization of a Pentasaccharide from Stellaria media

Journal of natural products (Washington, D.C.), 2008-11, Vol.71 (11), p.1833-1836

2008

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Phosphodiester Substrates for Incorporation of Nucleotides in DNA Using HIV-1 Reverse Transcriptase

Chembiochem : a European journal of chemical biology, 2009-09, Vol.10 (13), p.2246-2252

2009

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Synthesis and biological evaluation of 68Ga labeled bis-DOTA-3,3′-(benzylidene)-bis-(1H-indole-2-carbohydrazide) as a PET tracer for in vivo visualization of necrosis

Bioorganic & medicinal chemistry letters, 2013-06, Vol.23 (11), p.3216-3220

2013

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Pc16a, the first characterized peptide from Conus pictus venom, shows a novel disulfide connectivity

Peptides (New York, N.Y. : 1980), 2012-03, Vol.34 (1), p.106-113

2012

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Synthesis and biological evaluation of68 Ga-bis-DOTA-PA as a potential agent for positron emission tomography imaging of necrosis

Nuclear medicine and biology, 2013, Vol.40 (6), p.816-822

2013

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Synthesis and biological evaluation of 68Ga-bis-DOTA-PA as a potential agent for positron emission tomography imaging of necrosis

Nuclear medicine and biology, 2013-08, Vol.40 (6), p.816-822

2013

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Effect of ethylene glycol and glycerol fructosides on the activity and product specificity of bacterial and plant fructosyltransferases

Biocatalysis and biotransformation, 2009, p.1-12

2009

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Synthesis and biological evaluation of an super(123)I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging

Bioorganic & medicinal chemistry letters, 2007-06, Vol.17 (12), p.3458-3462

2007

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Effect of ethylene glycol and glycerol fructosides on the activity and product specificity of bacterial and plant fructosyltransferases

Biocatalysis and biotransformation, 2009, Vol.27 (5-6), p.328-339

2009

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Synthesis and biological evaluation of an 123I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging

Bioorganic & medicinal chemistry letters, 2007-06, Vol.17 (12), p.3458-3462

2007

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Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies

Correction: Global reactivity models are impactful in industrial synthesis applications

Global reactivity models are impactful in industrial synthesis applications

Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task

Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks

Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts

Design of Bioactive Peptides from Naturally Occurring μ-Conotoxin Structures

Quantum extremal learning

Influence of the Nucleobase and Anchimeric Assistance of the Carboxyl Acid Groups in the Hydrolysis of Amino Acid Nucleoside Phosphoramidates

Sedoheptulose accumulation under CO2 enrichment in leaves of Kalanchoë pinnata: a novel mechanism to enhance C and P homeostasis?

Reactivity of Amino Acid Nucleoside Phosphoramidates: A Mechanistic Quantum Chemical Study

Metabolism of galactosyl-oligosaccharides in Stellaria media – Discovery of stellariose synthase, a novel type of galactosyltransferase

Structure Determination of the Top-Loop of the Conserved 3′-Terminal Secondary Structure in the Genome of Flaviviruses

Sedoheptulose accumulation under CO2enrichment in leaves of Kalanchoë pinnata: a novel mechanism to enhance C and P homeostasis?

34. Miniaturization of μ-Conotoxins as Peptidomimetic Strategy to Develop Selective Sodium Channel Blockers

Isolation and Characterization of a Pentasaccharide from Stellaria media

Phosphodiester Substrates for Incorporation of Nucleotides in DNA Using HIV-1 Reverse Transcriptase

Synthesis and biological evaluation of 68Ga labeled bis-DOTA-3,3′-(benzylidene)-bis-(1H-indole-2-carbohydrazide) as a PET tracer for in vivo visualization of necrosis

Pc16a, the first characterized peptide from Conus pictus venom, shows a novel disulfide connectivity

Synthesis and biological evaluation of68 Ga-bis-DOTA-PA as a potential agent for positron emission tomography imaging of necrosis

Synthesis and biological evaluation of 68Ga-bis-DOTA-PA as a potential agent for positron emission tomography imaging of necrosis

Effect of ethylene glycol and glycerol fructosides on the activity and product specificity of bacterial and plant fructosyltransferases

Synthesis and biological evaluation of an super(123)I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging

Effect of ethylene glycol and glycerol fructosides on the activity and product specificity of bacterial and plant fructosyltransferases

Synthesis and biological evaluation of an 123I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging

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