| 20080234996 | ANNOTATING DESCRIPTIONS OF CHEMICAL COMPOUNDS - A one-dimensional structural description of a ligand molecule can be annotated to include, for one or more atoms, information from a force field database. The information can be provided by an Assisted Model Building and Energy Refinement parameter list or a similar source. The annotation can be carried out using one or more intermediate structural description formats and can include identifying one or more fragment types that make up the ligand molecule. | 09-25-2008 |
