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CACHE (Crucial Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational techniques for hit-finding

Chemexpress May 31, 2024 0 Comments

Computational approaches in drug discovery and development hold fantastic guarantee, with artificial intelligence strategies undergoing widespread contemporary use, but the experimental validation of these new approaches is often inadequate. We’re…

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Interaction Energy Analysis of Monovalent Inorganic Anions in Bulk Water Versus Air/Water Interface

Chemexpress May 31, 2024 0 Comments

Soft anions exhibit surface activity at the air/water interface that can be probed using surface-sensitive vibrational spectroscopy, yet the statistical mechanics behind this surface activity remains a matter of debate.…

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Radical Ring-Opening of Oxetanes Enabled by Co-Catalysis

Chemexpress May 31, 2024 0 Comments

Oxetanes are important developing blocks due to their well-explored propensity to undergo ring-opening reactions with diverse nucleophiles. However, their application as precursors of radical species remains unexplored. Herein, we present…

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New Hypercoordinating Organostannanes for the Modular Functionalization of Mono- and Polystannanes: Synthetic and Computational Studies

Chemexpress May 31, 2024 0 Comments

Within this paper we outline two significant findings. The very first is the fact that we describe how designer hypercoordinate stannanes could be produced from straightforward substitutions, and by extension,…

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Sandacrabins 鈥?Structurally exclusive antiviral RNA polymerase inhibitors from a rare myxobacterium

Chemexpress May 31, 2024 0 Comments

We report structure elucidation and total synthesis of five unprecedented terpenoid-alkaloids, the sandacrabins, alongside with the very first description of their creating organism Sandaracinus defensii MSr10575, which expands the Sandaracineae…

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Uncategorized

2-Norbornanecarbonitrile, mixture of endo and exo (CAS 2234-26-6)

Uncategorized

2-Nitrotoluene-d7 (CAS 84344-04-7)

Uncategorized

2-Nitro-6-(trifluoromethyl)benzonitrile (CAS 1227581-80-7)

Uncategorized

[2-Morpholin-4-yl-3-(3-nitro-benzylidene)-cyclopent-1-enylmethylene]-hydrazine

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