Prediction of 'drug-likeness'.

  title={Prediction of 'drug-likeness'.},
  author={W. Patrick Walters and Mark A. Murcko},
  journal={Advanced drug delivery reviews},
  volume={54 3},
Recent developments in combinatorial chemistry and high-throughput screening have dramatically increased the scale on which drug discovery programs are carried out. Along with these advances has come a need for automated methods of determining which compounds from a library should be synthesized and screened. These methods range from simple counting schemes to sophisticated machine learning techniques such as neural networks. While many of these methods have performed well in validation studies… CONTINUE READING

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