Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents Journal of Mathematical Chemistry volume 46, pages1232–1251 (2009) Abstract: Optimal descriptors calculated with International Chemical Identifier (InChI) have been used to construct one-variable model of the solubility of fullerene C 60 in organic solvents . Attempts to calculate the model for three splits into […]
InChI Tag: organic application
2 posts
Failures of fractional crystallization: ordered co-crystals of isomers and near isomers S. P. Kelley, L. Fábián and C. P. Brock Acta Cryst. (2011). B67, 79-93 https://doi.org/10.1107/S0108768110048135 Abstract: A list of 270 structures of ordered co-crystals of isomers, near isomers and molecules that are almost the same has been compiled. Searches […]