Predicting drug-likeness: why and how?

  title={Predicting drug-likeness: why and how?},
  journal={Current topics in medicinal chemistry},
  volume={2 12},
There exists a huge attrition rate of molecules in clinical trials. It was expected that high-throughput screening and combinatorial chemistry would make the task of producing drugs easier. However, the efforts of the past decade have not been an unvarnished success. As a result, a lot of experimental and computational efforts are currently being directed at determining the basic requirements for a molecule to become a drug. Here we will review the physiological, structural, and other… CONTINUE READING