Does ADMET Predictor put any limitations on the molecular input?
ADMET Predictor will run and make valid predictions for any single organic molecule composed of C, N, O, S, P, F, Cl, Br, and I elements. The program will process molecules with other elements, but it will issue a warning about invalid predictions in these cases. Two descriptors, N_Nonorgn and N_Metal, will allow the user to easily detect and sort out these molecules. As for disconnected structures such as salts, the program will strip away monoatomic counterions (e.g., Cl-, Na+) and neutralize the remaining structure. However, disconnected polyatomic fragments are not permitted.
