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most citedLearning 3D Representations of Molecular Chirality with Invariance to Bond Rotations

18 citations · 42 across the 3 of their papers we have counts for

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physics.chem-ph2022★ 8 cited

Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design

Keir Adams, Connor W. Coley

Shape-based virtual screening is widely employed in ligand-based drug design to search chemical libraries for molecules with similar 3D shapes yet novel 2D chemical structures comp…