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Automated chemical reaction prediction: Now in stereo

Researchers at the Institute for Chemical Reaction Design and Discovery (WPI-ICReDD) have demonstrated the expanded use of a computational method called the Artificial Force Induced Reaction (AFIR .

AFIR Predicts Accurate Stereochemistry of Pericyclic Reactions

Scientists at the Institute for Chemical Reaction Design and Discovery (WPI-ICReDD) have illustrated the augmented use of the Artificial Force Induced Reaction (AFIR) method, which predicts pericyclic reactions with exact stereoselectivity using only details about the target product molecule.

Chemical reaction design goes virtual

Researchers at the Institute for Chemical Reaction Design and Discovery and Hokkaido University have developed a virtual ligand-assisted (VLA) screening method, which could drastically reduce the .

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Researchers aim to streamline the time- and resource-intensive process of screening ligands during catalyst design by using virtual ligands.

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