Bio-rad Laboratories, Inc.

Perkinelmer Informatics, Inc.

Cambridgesoft Corporation

Mark L Olson

Paul V Carter

Luther L Barber

Andrew Smellie

Systems, methods, and apparatus are provided that allow a user to draw and edit a chemical structure. Aspects of the present disclosure may include receiving an input corresponding to an amendment to a portion of an in-progress chemical structure, and identifying, based at least in part upon the amended in-progress chemical structure, one or more molecular scaffolds from a set of candidate molecular scaffolds. Each molecular scaffold may be configured to, upon one or both of (i) appending to the amended portion of the in-progress chemical structure and (ii) replacing or partially replacing the amended portion of the in-progress chemical structure, provide a resulting chemical structure or chemical structure fragment that has been previously rendered. The one or more molecular scaffolds may be provided for presentation on the graphical display as option(s) for selection by a user in creating the graphical representation of the chemical structure.

Draw-ahead feature for chemical structure drawing applications

A method for graphically forming a difference spectrum from a sample spectrum and a reference spectrum on a computer system includes displaying an initial difference spectrum on the display the initial difference spectrum being equal to the sample spectrum, selecting a data point in the initial difference spectrum, having an associated wave number, with a relative pointing device on the display, moving the data point a measurable amount on the display with the relative pointing device, determining a scaling factor in response to the measurable amount and to a data point in the reference spectrum having the same associated wave number, scaling each data point in the reference spectrum by the scaling factor to form a scaled reference spectrum, determining the difference spectrum between the sample spectrum and the scaled reference spectrum, and displaying at least a portion of the difference spectrum on the display.

Growing community of inventors

Framingham, MA, United States of America

Mark L Olson