title: Prediction of the vitreal half-life of small molecular drug-like compounds.
abstract: OBJECTIVE
  To build a fast, user-friendly computational model to predict the intravitreal half-lives of drug-like compounds.
  
  
  METHODS
  We used multivariate analysis to build intravitreal half-life models using two data sets, one with experimental data derived from both pigmented and albino rabbits and another including only data from experiments with albino rabbits.
  
  
  RESULTS
  The final models had a Q(2) value of 0.65 and 0.75 for the mixed and albino rabbit models, respectively. The models performed well in predicting the intravitreal half-life of an external test set. In addition, the models are physiologically interpretable, containing mainly hydrogen bonding and lipophilicity descriptors.
  
  
  CONCLUSIONS
  The developed models enable reliable predictions of intravitreal half-lives for use in the early drug development stages, without the need for prior experimental data.
authors: Centre for Drug Research, Faculty of Pharmacy, University of Helsinki, P.O. Box 56, FIN-00014 Helsinki, Finland. heidi.kidron@helsinki.fi
authors: Heidi
authors: H
authors: Kidron
authors: Eva M
authors: EM
authors: Del Amo
authors: Kati-Sisko
authors: KS
authors: Vellonen
authors: Arto
authors: A
authors: Urtti
mesh_terms: D000818:Animals; D001813:Blood-Retinal Barrier / Q000378:metabolism; D003198:Computer Simulation; D006207:Half-Life; D006860:Hydrogen Bonding; D058449:Intravitreal Injections; D008954:Models, Biological; D015999:Multivariate Analysis; D004364:Pharmaceutical Preparations / Q000008:administration & dosage* / Q000378:metabolism*; D011817:Rabbits; D014822:Vitreous Body / Q000378:metabolism*
chemical_list: D004364:Pharmaceutical Preparations