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ACS Editors’ Choice: Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations

This week: Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
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T3NS: Three-Legged Tree Tensor Network States

J. Chem. Theory Comput., Article ASAP
DOI: 10.1021/acs.jctc.8b00098
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Samholides, Swinholide-Related Metabolites from a Marine Cyanobacterium cf. Phormidium sp.

J. Org. Chem., Article ASAP
DOI: 10.1021/acs.joc.8b00028
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Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations

J. Chem. Inf. Model., Article ASAP
DOI: 10.1021/acs.jcim.7b00663
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Transcriptome Analysis of Hepatopancreas from the Cr (VI)-Stimulated Mantis Shrimp (Oratosquilla oratoria) by Illumina Paired-End Sequencing: Assembly, Annotation, and Expression Analysis

J. Agric. Food Chem., Article ASAP
DOI: 10.1021/acs.jafc.7b05074
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Development of an Organometallic Flow Chemistry Reaction at Pilot-Plant Scale for the Manufacture of Verubecestat

Org. Process Res. Dev., Article ASAP
DOI: 10.1021/acs.oprd.7b00385
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Guanidinium-Functionalized Interpolyelectrolyte Complexes Enabling RNAi in Resistant Insect Pests

Biomacromolecules, Article ASAP
DOI: 10.1021/acs.biomac.7b01717
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Fragment-Based Screening of a Natural Product Library against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry

ACS Infect. Dis., Article ASAP
DOI: 10.1021/acsinfecdis.7b00197
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