(1) Initialize
(2) For each   do
(3) Initialize randomly under the input domain
(4) While stop condition is not reached do
(5)  Split -pairs into clusters using
(6)  For each cluster   do
(7)   Create a -molecule using criterion (6)
(8)   Obtain hydrogen values of molecule using LSE method
(9)   Calculate least square error between and
(10)  End for
(11)  Update intermolecular distances using (5)
(12) End while
(13) Update
(14) Update -pairs with -pairs
(15) End for
(16) Obtain stoichiometric coefficients of compounds using LSE method
(17) Return
Algorithm 1: Training algorithm for artificial hydrocarbon networks.