SuccFerr (also known as P722) is a ferrociphenol that have a very good activity on cancer cells, for example an IC50 = 0.035 µM on Triple Negative Breast Cancer (MDA-MB-231) and on Ovarian Cancer A2780. However, SuccFerr is lipophilic and has a very low solubility in water, so a formulation was needed. Cyclodextrins (CD), and particularly methylated CDs were tested, but a modelling was needed to find the best CDs, i.e., the best methylation rate. Several series of models (with one or two CD and with different types of insertions: moieties of SuccFerr that was inserted and in which side of the CD) were created and modelling was done with Spartan 14. Starting from a simple CD (all glucose units were identical), several G0 (generation 0) were created and the methylation on each oxygen atom was inverted. The best model was used to do the same for several generations. This created tree of modifications of methylation onto the CD leading to the best models/CDs. To manage this large set of models, this PHP was created to describe the models that can be created or not depending on the parent model, calculate ∆rH°, save it in the database, navigate into the tree and do some statistics. A copy of all the webpages generated by the PHP program are also furnished as illustration for off-line navigation into the trees. This program can be used with other inserted molecules, but for other kinds of cyclodextrins (not a βCD), or for insertion of more than 2 cyclodextrins, this program should be adapted. It can also be modified to treat other kinds of problems based on improvement by changing one parameter at each generation.