Abstract: A computer operated method for transforming the appearance of a chemical structure entered into a computer wherein at least one alternate equivalent structure is generated within the computer (or by keyboard entry). A series of parameters applicable to chemical structures are established along with values for such parameters. Following that it is established which of such parameters are present in the first structure and the values thereof are summed to obtain a score. The parameters present in the alternate structures are then established and summed to establish a score for each. The scores are then compared and the highest score is selected and the structure corresponding to the highest score is outputted or printed.

Abstract: Automatic orientation of predefined chemical structures in conjunction with a computer terminal employs respective protocols corresponding to a system state. The system states can include a chain state, ring state, library state, and retrieve state. Upon orientation, the object is attached according to a specified attachment command to a parent graph. The protocols corresponding to connection of the object to the parent includes rules regarding angles at which the structures can be attached to one another, and another protocol governs rules respecting rotation of the stored object through predetermined angles. Nodes of the object recalled are automatically provided with markers in alphabetic order from the most recently used marker corresponding to a letter of alphabet. Multiple alphabet sequences are used. Specification of position is indicated by inputting the lower case letter of the alphabet corresponding to the location desired. Bonds can be specified between two markers.

Abstract: The number of key strokes required to enter two-dimensional figures, such as chemical structures, into a computer from a keyboard display is reduced by utilizing contextual relationships between the character being typed at a specific location and the characters surrounding that location to predict the next character and/or location of that character to be typed. For example, when a horizontal bond between chemical elements is to be typed, the keyboard carriage moves horizontally to the next position, as with a conventional keyboard; but when a vertical or diagonal bond is typed, the carriage moves in the direction of the bond. In addition, symbols representing various atoms are predicted and automatically displayed at a next position location following typing of a bond when the contextual relationship at that location so requires.