A QSPR study of drug release from an arabinoxylan using ab initio optimization and neural networks

► Release of various drugs from arabinoxylan being reported for the first time. ► Novel, robust and highly predictive QSPR models have been developed. ► Use of ab initio optimization, heuristic method and neural networks is made. ► The models have been validated by standard QSPR procedures. ► The models can be used to design controlled release drug devices.