Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases.

Fraaije, Johannes G E M

Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases. [electronic resource] - Journal of chemical information and modeling 12 2016 - 2361-2377 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1549-960X

10.1021/acs.jcim.6b00003 doi


Algorithms
Databases, Chemical
Models, Chemical
Molecular Structure
Thermodynamics