Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes.

@article{Wager2010DefiningDC,
  title={Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes.},
  author={Travis T Wager and Ramalakshmi Y Chandrasekaran and Xinjun Hou and Matthew D. Troutman and Patrick R. Verhoest and Anabella Villalobos and Yvonne Will},
  journal={ACS chemical neuroscience},
  year={2010},
  volume={1 6},
  pages={420-34}
}
As part of our effort to increase survival of drug candidates and to move our medicinal chemistry design to higher probability space for success in the Neuroscience therapeutic area, we embarked on a detailed study of the property space for a collection of central nervous system (CNS) molecules. We carried out a thorough analysis of properties for 119 marketed CNS drugs and a set of 108 Pfizer CNS candidates. In particular, we focused on understanding the relationships between physicochemical… CONTINUE READING
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