You can have a program automatically catalog drawings from laboratory Input image, and the image on the right is the result of the CIR function in ChemDoodle 2D.Įven further processing on the recovered chemical drawing, optimizing a 3D structure using the MMFF94 force field and measuring the hydrogen bondīy recreating the chemical data originally lost in images, CIR makes it possible to produce For instance, take the following image of galanthamine. Information other than the defined pixels, and using a computer to recreate the original chemical data to beįurther. Original chemical data it represents is only realized in our minds.Ĭhemical image recovery (CIR) is the process of taking an image of a chemical drawing, with no provided Maybe we can enlarge it, copy it or print it, but the Just an image, we cannot do anything more than look at it. Molecules have been created for use in documents, databases, notebooks, websites, etc. Way to communicate information to visual creatures such as us. When we communicate as chemists, we often use images of molecules because a picture is the most effective New chemical image recovery features in ChemDoodle 2D Molecule drawings and communicate with a scientist. In this laboratory setting, an android is using its ability to see and understand New chemical image recovery function was included for automatically rebuilding chemical drawings from an image, We launched ChemDoodle 2D v11.4 on April 2nd, 2021. This article is the second part of a three-part series on chemical data recovery written by Kevin Theisen, President of iChemLabs:
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