CYP3A4 dataset

The CYP3A4 dataset has been used as tutorial data for the chapter: Grisoni, F., Ballabio, D., Todeschini, R., Consonni, V. (2018) Molecular Descriptors for Structure – Activity Applications: A Hands-On Approach. In: Nicolotti O. (eds) Computational Toxicology. Methods in Molecular Biology, vol 1800. Humana Press, New York, NY [link]

Conditions and warranty
The dataset is freeware and may be used if proper reference is given to the authors. Please, refer to the following paper:
Grisoni, F., Ballabio, D., Todeschini, R., Consonni, V. (2018) Molecular Descriptors for Structure – Activity Applications: A Hands-On Approach. In: Nicolotti O. (eds) Computational Toxicology. Methods in Molecular Biology, vol 1800. Humana Press, New York, NY.

Download
Fill in the following form. Your personal data will be used only for notification via email of new releases of the dataset and will not be communicated to external third parties. Once the form has been submitted, open the rar file and extract the excel data file. If you experience any problem to downlaod the toolbox, write to davide.ballabio@unimib.it.