private static object fup(
double logPow,
string @class,
object pKa,
object pKa_base,
bool denominatorOnly
)
{
var Pnlw = Pow(10, logPow);
var o = ExcelFunctions.Iwp(@class, pKa, pKa_base);
if (o is ExcelError)
{
return(o);
}
var Iwp = (double)o;
var Fwp = _table1["plasma"]["Fw"];
var Fnlp = _table1["plasma"]["Fnl"];
var denominator = ((1 + Iwp) * Fwp + Pnlw * Fnlp);
if (denominatorOnly)
{
return(denominator);
}
var fup = (1 + Iwp) / denominator;
return(fup);
}
public static object Kp(
[ExcelArgument("Tissue (adipose|bone|brain|gut|heart|kidneys|liver|lungs|muscle|skin|spleen|thymus|blood cells")] string tissue,
[ExcelArgument("Log octanol:water partition coefficient")] double logPow,
[ExcelArgument("Ionization class (N|WB|SB|A|Z)")] string @class,
[ExcelArgument("Does drug chemical structure consist of at least one oxygen atom? (TRUE|FALSE)")] bool containsOxygen,
[ExcelArgument("pKa")] object pKa,
[ExcelArgument(Name = "pKa,base", Description = "pKa,base (zwitterion only)")] object pKa_base
)
{
object o;
o = ExcelFunctions.fup(logPow, @class, pKa, pKa_base, true);
if (o is ExcelError)
{
return(o);
}
var fup = (double)o;
o = ExcelFunctions.fut(tissue, logPow, @class, containsOxygen, pKa, pKa_base, true);
if (o is ExcelError)
{
return(o);
}
var fut = (double)o;
var Kp = fut / fup;
return(Kp);
}
public static object Vss(
[ExcelArgument("Log octanol:water partition coefficient")] double logPow,
[ExcelArgument("Ionization class (N|WB|SB|A|Z)")] string @class,
[ExcelArgument("Does drug chemical structure consist of at least one oxygen atom? (TRUE|FALSE)")] bool containsOxygen,
[ExcelArgument("pKa")] object pKa,
[ExcelArgument(Name = "pKa,base", Description = "pKa,base (zwitterion only)")] object pKa_base
)
{
var tissues = _table1.Keys;
var Vss = 0.0;
foreach (var tissue in tissues)
{
if (tissue == "plasma")
{
Vss += _table1[tissue]["V"];
}
else
{
var o = ExcelFunctions.Kp(tissue, logPow, @class, containsOxygen, pKa, pKa_base);
if (o is ExcelError)
{
return(o);
}
var Kp = (double)o;
Vss += Kp * _table1[tissue]["V"];
}
}
return(Vss);
}
private static object fut(
string tissue,
double logPow,
string @class,
bool containsOxygen,
object pKa,
object pKa_base,
bool denominatorOnly
)
{
if (string.IsNullOrWhiteSpace(tissue))
{
return(ExcelError.ExcelErrorValue);
}
tissue = tissue.ToLowerInvariant();
if (tissue == "plasma")
{
return(ExcelError.ExcelErrorValue);
}
if (!_table1.ContainsKey(tissue))
{
return(ExcelError.ExcelErrorValue);
}
object o;
double Pnlw;
if (tissue == "adipose")
{
o = LogPvow(logPow, @class, containsOxygen);
if (o is ExcelError)
{
return(o);
}
var logPvow = (double)o;
Pnlw = Pow(10, logPvow);
}
else
{
Pnlw = Pow(10, logPow);
}
o = ExcelFunctions.Iwt(@class, pKa, pKa_base);
if (o is ExcelError)
{
return(o);
}
var Iwt = (double)o;
var Fwt = _table1[tissue]["Fw"];
var Fnlt = _table1[tissue]["Fnl"];
var denominator = ((1 + Iwt) * Fwt + Pnlw * Fnlt);
if (denominatorOnly)
{
return(denominator);
}
o = ExcelFunctions.Iwp(@class, pKa, pKa_base);
if (o is ExcelError)
{
return(o);
}
var Iwp = (double)o;
var fut = (1 + Iwp) / denominator;
return(fut);
}