31 releases (6 breaking)
0.7.1 | Oct 17, 2024 |
---|---|
0.6.3 | Sep 28, 2024 |
0.3.1 | Jul 28, 2024 |
#9 in Simulation
442 downloads per month
Used in pmcore
140KB
3.5K
SLoC
pharmsol
Simulate PK/PD profiles using ODE and analytical models.
Example
ODE based model.
use pharmsol::*;
let subject = Subject::builder("id1")
.bolus(0.0, 100.0, 0)
.repeat(2, 0.5)
.observation(0.5, 0.1, 0)
.observation(1.0, 0.4, 0)
.observation(2.0, 1.0, 0)
.observation(2.5, 1.1, 0)
.covariate("wt", 0.0, 80.0)
.covariate("wt", 1.0, 83.0)
.covariate("age", 0.0, 25.0)
.build();
// println!("{subject}");
let ode = equation::ODE::new(
|x, p, t, dx, _rateiv, cov| {
fetch_cov!(cov, t, _wt, _age);
fetch_params!(p, ka, ke, _tlag, _v);
// Secondary Eqs
// let ke = ke * wt.powf(0.75) * (age / 25.0).powf(0.5);
//Struct
dx[0] = -ka * x[0];
dx[1] = ka * x[0] - ke * x[1];
},
|p| {
fetch_params!(p, _ka, _ke, tlag, _v);
lag! {0=>tlag}
},
|_p| fa! {},
|_p, _t, _cov, _x| {},
|x, p, _t, _cov, y| {
fetch_params!(p, _ka, _ke, _tlag, v);
y[0] = x[1] / v;
},
(2, 1),
);
let op = ode.estimate_predictions(&subject, &vec![0.3, 0.5, 0.1, 70.0]);
// println!("{op:#?}");
let _ = op.run();
Analytic based model.
use pharmsol::*;
let analytical = equation::Analytical::new(
one_compartment_with_absorption,
|_p, _cov| {},
|p| {
fetch_params!(p, _ka, _ke, tlag, _v);
lag! {0=>tlag}
},
|_p| fa! {},
|_p, _t, _cov, _x| {},
|x, p, _t, _cov, y| {
fetch_params!(p, _ka, _ke, _tlag, v);
y[0] = x[1] / v;
},
(2, 1),
);
let op = analytical.simulate_subject(&subject, &vec![0.3, 0.5, 0.1, 70.0]);
println!("{op:#?}");
Supported analytical models
We are working to support all the standard analytical models.
- One-compartment with IV infusion
- One-compartment with IV infusion and oral absorption
- Two-compartment with IV infusion
- Two-compartment with IV infusion and oral absorption
- Three-compartmental models
Links
Dependencies
~25–36MB
~585K SLoC