Finding target molecules with specific chemical properties plays a decisive role in drug development. We proposed GEOM-CVAE, a constrained variational autoencoder based on geometric representation for ...

In some cases, the angle criterion was met, but the cell shape did not match the expected cell shape of the polymorph III phase but was, e.g., much more elongated than the cell of the reference ...

Ionic reactions of carbon tetrachloride. Survey of reactions with ketones, alcohols, and sulfones | Journal of the American Chemical Society Cite This:J. Am. Chem. Soc. 1969, 91, 26, 7510-7512 Article ...