Skip to main content
. 2016 Apr 13;7(7):4713–4719. doi: 10.1039/c6sc00722h

Table 3. Structures of molecules predicted, synthesized and tested for gelation property. % likelihood is the average probability from SVM, RF and NN models that the prediction is as indicated.

Compound Prediction (% likelihood) Measurement
graphic file with name c6sc00722h-u18.jpg No (85%) No
graphic file with name c6sc00722h-u19.jpg No (85%) No
graphic file with name c6sc00722h-u20.jpg No (85%) No
graphic file with name c6sc00722h-u21.jpg No (82%) No
graphic file with name c6sc00722h-u22.jpg No (83%) No
graphic file with name c6sc00722h-u23.jpg Yes (83%) Yes
graphic file with name c6sc00722h-u24.jpg Yes (75%) Yes
graphic file with name c6sc00722h-u25.jpg Yes (79%) Yes
graphic file with name c6sc00722h-u26.jpg Yes (63%) Yes