Demos > Automatic Structure Grading

Instructors have to spend a lot of time predicting all the different molecular answers to questions in homework and exams and deciding how to apply credit to those answers. In digital systems, we can certainly make it easier. ChemDoodle contains advanced graph isomorphism algorithms for comparing structures. You can see how powerful it is through our demo that matches drawn mechanisms. In addition to exact, substructure, query and similarity matching, there is one more type of matching that is significantly useful in grading called a maximum common substructure (MCS). The MCS algorithm produces the maximum overlap between two chemical structures, and this demo shows how it works. Creating content for eLearning systems has never been easier as you simply define the correct answer and let the computer calculate partial credit.

The MCS algorithm in ChemDoodle is fully customizable, and works with our aromaticity, stereochemistry (see Resolve Stereochemistry) and mechanism drawing engines. You can also assign weights to different parts of the structures to place emphasis when grading. For instance, we can put more importance on heteroatoms vs carbons, or make mechanism arrows worth most of the score.

Imagine using these algorithms in your own educational eBook or your favorite eLearning application! Contact iChemLabs today for details.