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Chemistry Net @Chemistry_Net

A chemistry site aimed mainly at university and senior high school students, scientists and the general public.

Joined November 2012
  • Tweets 5,046
  • Following 360
  • Followers 907
1,668 Photos and videos
Can AI quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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Direct oxygen insertion into C-C bond of styrenes with air nature.com/articles/s41467-0……… #chemistry #organic #organic_synthesis #styrenes

Direct oxygen insertion into C-C bond of styrenes with air

Nature Communications - The direct oxygenation of C–C bonds through single-oxygen-atom insertion like the Baeyer-Villiger reaction is of particular significance. Herein, the authors present...

nature.com
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The basics of quantum computing for chemists onlinelibrary.wiley.com/doi/…………………… #chemistry #bioinformatics #Quantumcomputing #QuantumChemistry
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Precise, site-selective alcohol migration via proximity-enhanced H atom abstraction. nature.com/articles/s41586-0… #ChemicalSynthesis #OrganicChemistry #RadicalChemistry #LateStageFunctionalization
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Chemistry Net retweeted
Boron-Chem-Research@Boron_Chemistry
May 30
Nickel-Catalyzed Boron-Mediated Saturative Trifunctionalization of Alkynes ( @angew_chem ): onlinelibrary.wiley.com/doi/….
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Can Machine Learning Quantum Chemistry redefine reaction predictions? #MachineLearning #CompChem #ChemTwitter onlinelibrary.wiley.com/doi/……………………… @WileyOnlineLib

Prediction of Activation Energies of Organic Molecules With at Most Seven Non‐Hydrogen Atoms Using...

A hybrid machine learning (ML) approach is presented for accurately predicting activation energies (Ea) of gas-phase elementary organic reactions with up to seven nonhydrogen atoms.

onlinelibrary.wiley.com
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Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation …………………chemistry-europe.onlinelibra………………… #chemistry #bioinformatics #proteins #degron

Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation

A cysteine-selective, visible-light-mediated bioconjugation reaction that enables direct installation of a range of desired moieties into peptide and protein scaffolds via C(sp3)−C(sp3) bond format...

chemistry-europe.onlinelibrary.wiley.com
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The computational road to reactivity scales - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/arti……………… #chemistry #bioinformatics #ComputationalChemistry #reactivity

The computational road to reactivity scales

Reactivity scales are useful research tools for chemists, both experimental and computational. However, to determine the reactivity of a single molecule, multiple measurements need to be carried out,...

pubs.rsc.org
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Can Machine Learning Quantum Chemistry redefine reaction predictions? #MachineLearning #CompChem #ChemTwitter onlinelibrary.wiley.com/doi/……………………… @WileyOnlineLib
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The occurrence of ansamers in the synthesis of cyclic peptides rdcu.be/cYAiO #chemistry #biochemistry #Bioinformatics #peptide
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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science pubs.rsc.org/en/content/arti…………………………… #chemistry #bioinformatics #ComputationalChemistry #DFTS
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Can Machine Learning Quantum Chemistry redefine reaction predictions? #MachineLearning #CompChem #ChemTwitter onlinelibrary.wiley.com/doi/……………………… @WileyOnlineLib
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Introduction of the difluoromethyl group at the meta- or para-position of pyridines through regioselectivity switch nature.com/articles/s41467-0…
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Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation …………………chemistry-europe.onlinelibra………………… #chemistry #bioinformatics #proteins #degron

Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation

A cysteine-selective, visible-light-mediated bioconjugation reaction that enables direct installation of a range of desired moieties into peptide and protein scaffolds via C(sp3)−C(sp3) bond format...

chemistry-europe.onlinelibrary.wiley.com
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The Potential of Neural Network Potentials | ACS Physical Chemistry Au pubs.acs.org/doi/10.1021/acs…… #chemistry #NeuralNetworks #PhysicalChemistry

The Potential of Neural Network Potentials

In the next half-century, physical chemistry will likely undergo a profound transformation, driven predominantly by the combination of recent advances in quantum chemistry and machine learning (ML)....

pubs.acs.org
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Recent advances in the development of covalent inhibitors - now published in RSC Medicinal Chemistry pubs.rsc.org/en/content/arti………………………… #chemistry #Bioinformatics #ChemicalProbes #MedicinalChemistry

Recent advances in the development of covalent inhibitors

The use of covalent inhibitors in the field of drug discovery has attracted considerable attention in the 2000s. As a result, more than 50 covalent drugs are currently on the market, and numerous...

pubs.rsc.org
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Can Machine Learning Quantum Chemistry redefine reaction predictions? #MachineLearning #CompChem #ChemTwitter onlinelibrary.wiley.com/doi/……………………… @WileyOnlineLib
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Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation …………………chemistry-europe.onlinelibra………………… #chemistry #bioinformatics #proteins #degron

Cysteine‐Selective Modification of Peptides and Proteins via Desulfurative C−C Bond Formation

A cysteine-selective, visible-light-mediated bioconjugation reaction that enables direct installation of a range of desired moieties into peptide and protein scaffolds via C(sp3)−C(sp3) bond format...

chemistry-europe.onlinelibrary.wiley.com
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Precise, site-selective alcohol migration via proximity-enhanced H atom abstraction. nature.com/articles/s41586-0… #ChemicalSynthesis #OrganicChemistry #RadicalChemistry #LateStageFunctionalization
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Chemistry Net retweeted
JCIM & JCTC Journals@JCIM_JCTC
May 8
StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue7 #ChemicalInformation

StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs

Conventional molecular graphs are often unable to reliably encode stereochemistry, especially for symmetric molecules, nontetrahedral centers, and transition states. To overcome this, we present...

pubs.acs.org
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