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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.

chem-net.blogspot.com/
Joined November 2012
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Can AI + quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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Counterintuitive chemoselectivity in the reduction of carbonyl compounds nature.com/articles/s41570-0……………
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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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Can AI + quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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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

The Potential of Neural Network Potentials

Abstract. In the next half-century, physical chemistry will likely undergo a profound transformation, driven predominantly by the combination of recent adv

pubs.acs.org
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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...

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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Cross Electrophile Coupling: Principles, Methods, and Applications in Synthesis #chemistry #electrophiles #Organic_Synthesis pubs.acs.org/doi/10.1021/acs…
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Can AI + quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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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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Methyl groups in noncovalent interactions nature.com/articles/s41467-0…………… #chemistry #bioinformatics #LewisBases #biochemistry
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Can AI + quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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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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Precise, site-selective alcohol migration via proximity-enhanced H atom abstraction. nature.com/articles/s41586-0… #ChemicalSynthesis #OrganicChemistry #RadicalChemistry #LateStageFunctionalization
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Compressing Chemistry Reveals Functional Groups pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue7 #MachineLearning #DeepLearning
Compressing Chemistry Reveals Functional Groups

Compressing Chemistry Reveals Functional Groups

Abstract. We introduce the first formal large-scale assessment of the utility of traditional chemical functional groups as used in chemical explanations. O

pubs.acs.org
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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...

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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277
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

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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Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR doi.org/10.1038/s41573-023-0……………………… #cheminformatics #qsar #deeplearning #drugdiscovery
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR

Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR

Nature Reviews Drug Discovery - Advances with deep learning, the growth of databases of molecules for virtual screening and improvements in computational power have supported the emergence of a new...

nature.com
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Can AI + quantum chemistry redefine reaction predictions? #MachineLearning #Chemistry #AI #ChemTwitter onlinelibrary.wiley.com/doi/… @WileyOnlineLib @Chemistry_Net
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Counterintuitive chemoselectivity in the reduction of carbonyl compounds nature.com/articles/s41570-0……………
Image from Chemistry Net (@Chemistry_Net)
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Carbene Assisted Arene Ring-Opening pubs.acs.org/doi/10.1021/jac… #organic #synthesis #carbene #Organic_Chemistry
Carbene-Assisted Arene Ring-Opening

Carbene-Assisted Arene Ring-Opening

Abstract. Despite the significant achievements in dearomatization and C–H functionalization of arenes, the arene ring-opening remains a largely unmet chall

pubs.acs.org
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