BloodBrain

0th

Percentile

Blood Brain Barrier Data

Mente and Lombardo (2005) develop models to predict the log of the ratio of the concentration of a compound in the brain and the concentration in blood. For each compound, they computed three sets of molecular descriptors: MOE 2D, rule-of-five and Charge Polar Surface Area (CPSA). In all, 134 descriptors were calculated. Included in this package are 208 non-proprietary literature compounds. The vector logBBB contains the concentration ratio and the data fame bbbDescr contains the descriptor values.

Keywords
datasets
Value

bbbDescr

data frame of chemical descriptors

logBBB

vector of assay results

Aliases
  • BloodBrain
  • bbbDescr
  • logBBB
Documentation reproduced from package caret, version 6.0-80, License: GPL (>= 2)

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