Amy Hodges, Reinie Cordier, Annette Joosten, Helen Bourke-Taylor, Yu-Wei Chen
Evaluating the feasibility, fidelity, and preliminary effectiveness of a school-based intervention to improve the school participation and feelings of connectedness of elementary school students on the autism spectrum
PloS one
structure elucidation small organic molecules 1500 dalton 1d 2d nuclear magnetic resonance nmr data analysis potentially challenging combinatorial problem publication presents sherlock free opensource computerassisted structure elucidation case software user controls chain elementary operations versatile graphical user interface including spectral peak picking addition automatically userdefined structure constraints structure generation ranking display solutions set fortyfive compounds selected order illustrate new possibilities offered organic chemists sherlock improving reliability traceability structure elucidation results