Researchers discovered how to flip the structure of complex drug compounds using a simple reagent, offering a game-changing ...

The compound structures are encoded as SMILES strings, and the 3D conformations are accessible as Mol2 files. Several search mechanisms are available to explore the database, including a molecular ...

We present an unsupervised method for discovering compound image structures that are comprised of simpler primitive objects. An initial segmentation step produces image regions with homogeneous ...

For the tetragonal compound FeTaO 4, with the rutile structure, it was reported D=0.53 mm/s. [59] As the homopolar substitution Ta«Nb presents a minor effect on the hyperfine parameters of these ...

The reactivity of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) with P (III) compounds bearing oxygen or nitrogen substituents is explored. Compounds with structures quite diff ...

Other compounds, such as resveratrol and pyrogallol, may inhibit ACE via interactions with amino acids at the active site, thereby blocking the catalytic activity of ACE. These structure–function ...

Researchers from Waseda University, along with other collaborators, developed a palladium-catalyzed method to generate reactive ortho-quinodimethanes using simple, commercially available compounds.

This reaction enables the construction of intricate polycyclic compounds—structures often found in natural products and pharmaceuticals—by joining dienes and dienophiles with high regio- and ...

In this paper, we present a conformal shielding structure with conductive adhesive coated on molding compound to improve the intrasystem EMI problems in 3-D packages. Three groups of die-stacking ...