Chitosan (CS) and its derivatives are important particles for the administration of nanomedicine and drugs. Using bioinformatics and cheminformatics tools, the molecular descriptors of chitosan and other new derivatives were quantified and compared using the nano-SAR method.

The N-acetyl group attached to monomeric glucosamine monomer units of chitin confers an extremely low solubility, which makes chitin difficult to process and therefore limiting its medical potential. In order to be used as a drug administration system in the body, it is important to know about the pharmacokinetic profiles of chitosan and its derivatives, more specifically about ADME-Tox profiles (absorption, distribution, metabolism, excretion, and toxicology). Through cheminformatics and bioinformatics tools, ADMET is identifying, a set of pharmacokinetic characteristics, such as absorption, distribution, metabolism, blood-brain barrier, nervous system barrier, and toxicological characteristics of chitosan and 5 of its derivatives. Our results have shown that one can try to integrate the drug delivery system into the body.