Abstract: Fixed bond information is derived. A fixed bond representation of a chemical structure is derived from a delocalized representation. A path is conceptually traced through the represented structure and an examination is conducted, for each atom, of each possible electronic and bonding state that is consistent with what has come before along the path. A result is found by extensively or exhaustively examining all possible states and orders in a semi-recursive procedure that is directed early towards likely answers. If there is more than one possible solution, the best solution is chosen by use of a rating function.

Abstract: A set of product information is acquired that describes a first chemical product that is suitable for a particular use. A second chemical product that is suitable for the particular use is determined from the set of product information and a database of chemical product information. It is determined, from a set of product information that describes a chemical product and from a database of chemical product information, that multiple names refer to the same chemical substance. It is determined, based on product information acquired from an electronic catalog, whether a database includes information for a chemical substance that is described in the product information. Based on the determination, at least a portion of the product information is added to the database.

Abstract: A method and a system are provided for deriving chemical structures from chemical names. Chemical name fragments are grouped into a number of classifications. The method and the system handle new and old chemical names, including names for organic and inorganic substances. The method and the system handle inverted names, including inverted names with missing commas or with extraneous spaces.

Abstract: An interpretation of a chemical name is used to identify information pertaining to a substance identified by the chemical name, even if the chemical name is unfamiliar. Initially, a chemical name is acquired that identifies a chemical substance. Chemical structural information is derived from the chemical name. Based on the chemical structural information, a database entry or other resource is identified pertaining to the chemical substance.