Entering the ‘big data’ era in medicinal chemistry: molecular promiscuity analysis revisited

@inproceedings{Hu2017EnteringT,
  title={Entering the ‘big data’ era in medicinal chemistry: molecular promiscuity analysis revisited},
  author={Ye Hu and J{\"u}rgen Bajorath},
  booktitle={Future science OA},
  year={2017}
}
The 'big data' concept plays an increasingly important role in many scientific fields. Big data involves more than unprecedentedly large volumes of data that become available. Different criteria characterizing big data must be carefully considered in computational data mining, as we discuss herein focusing on medicinal chemistry. This is a scientific discipline where big data is beginning to emerge and provide new opportunities. For example, the ability of many drugs to specifically interact… CONTINUE READING
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