MMVSola Predictor
  • File Input
  • Prediction
  • Report
  • User guide
  • About
Processing your input...

Welcome to MMVSola!


Please, either

  • upload a Science Cloud input file, or

  • upload a MMVSola report file, or

  • specify parameters manually in the Prediction tab.

Please, read these helpful tips!
You can open or close the input categories below by clicking on their titles. The input fields are colored depending on the source of input: azure for default value, golden for ScienceCloud, white for manual input. If you type a value manually, you need to press Enter or click outside the input field for the value to be submitted. Place the mouse over the icon next to an input field to see additional information, such as the valid range for this parameter. Pressing the Reset compounds button from the File Input tab will erase all ScienceCloud and manual inputs for selected compounds and reset all parameters to their defaults. Note that the displayed values can be rounded to a few decimal digits, although the values with the full available precision will be used in the calculations.

Simulation parameters

Oral LAI Fast LAI Slow
Fraction Absorbed (0 – 1)
Ka [1/h]
Number of Doses
Dosing Interval [h]

Chemical properties

PK in vivo

H R M D
Plasma Binding [%]
Blood to Plasma Ratio
Plasma CL [mL/min/kg]
Plasma Vss [L/kg]
Renal Plasma Clearance (mL/min/kg)

PK in heps

H R M D
Hep. Clint [µL/min/10^6 cells]
Measured fu in Hep. assay (0-1)
10^6 cells/mL in Hep. Assay
Hep. regression intercept
Hep. regression slope

PK in mics

H R M D
Mic. CLint [µL/min/mg]
Measured fu in Mic. assay (0-1)
mg/mL Protein in Mic. Assay
Mic. regression intercept
Mic. regression slope

PD in vitro

PD in SCID

Prediction details

  • Oral
  • LAI

Select compound

Select sheets

Sheet Oral LAI
All
Summary
PK Prediction
Sensitivity Plots
Sensitivity Analysis
Comparative Summary
Comparative PK Prediction
Comparative User Inputs
Shared sheets
User Inputs
Science Cloud File
Additional Information
GPF
Generate Full Report Generate Oral Report Generate LAI Report

About MMVSola Predictor

Version 1.7.2

Description

MMVSola Predictor is an R Shiny web application for pharmacokinetic (PK) prediction of malaria drug candidates. It predicts human clearance from in-vitro data (hepatocytes, microsomes) and in-vivo animal data via IVIVE (in vitro–in vivo extrapolation), and simulates PK/PD profiles to estimate efficacious doses for oral treatment and long-acting injectable (LAI) chemoprevention.

The app is developed by Medicines for Malaria Venture (MMV) to support early-stage decision-making for antimalarial drug candidates.

Release Notes — v1.7.2

New features
  • LAI chemoprevention sub-tab: New Oral and LAI sub-tabs replace the previous single-panel Prediction view. The LAI tab predicts doses for 90-day and 180-day coverage using fast and slow Ka scenarios and both in-vitro and SCID EC50 sources.
  • Side-by-side PK/PD plots with interactive legend: Each sub-tab shows two plots — in-vitro EC50-predicted doses on the left, SCID EC50-predicted doses on the right — with checkboxes to toggle individual curves. A merged single-plot view is available via a toggle button.
  • tMIC coverage segments on plots: Each checked dose row overlays a segment showing the onset and duration of MIC coverage with a dose-matched label (e.g. "28.1 d").
  • 6 independent user dose inputs in Table 3: Each Dose column (2 in Oral, 4 in LAI) has its own editable numeric input, replacing the shared Simulated Dose parameter.
  • Dynamic plot panel titles: The merged plot title reflects which EC50 sources contribute visible predicted doses.
  • User Guide tab: A comprehensive in-app user guide covering all major workflows, with annotated screenshots and step-by-step instructions.
  • About tab: New tab summarising the app description, release notes, and contact information.
  • Redesigned Report tab and updated Excel report: The Report tab has been redesigned for clarity. The Excel report now includes separate sheets for Oral and LAI predictions.
Enhancements
  • Hepatic extraction ratio (E H ) in Oral Table 1: E H is shown in Predicted Human PK Parameters, making the Fa → Fabs 1 correction transparent.
  • Fa tooltip: An info icon on Fraction Absorbed (Fa) inputs explains the distinction between oral (first-pass corrected) and LAI (bioavailability directly).
  • Y-axis anchored to MIC: Both Oral and LAI plots anchor the y-axis to MIC/100 – 100×MIC.
  • Improved fu prediction: Updated to MMVhuPKpred v0.1.14 with rules for fu prediction from available inputs; a new action button generates a table of default value predictions.
  • Default value dependency graph: A new collapsible group in the left-hand menu shows an interactive dependency graph illustrating which inputs drive each predicted fu value.
  • Rules for fractions unbound: Missing fu values (hepatocyte and microsome fu per species) are derived from available measurements following an agreed hierarchy.
  • Reference human body weight updated to 55 kg: Changed from 60 kg for consistency with clinical trial datasets for African adults. Note: this affects oral predicted doses relative to previous versions.
  • Separate fraction absorbed (Fa) parameters for Oral and LAI: Fa is now defined independently for each route — Oral (default 1.0), LAI fast (default 0.8), LAI slow (default 0.8).
  • Separate absorption rate (Ka) parameters for Oral and LAI: Ka is now defined independently for each route — Oral (default 1.0 1/h), LAI fast (default 2.98×10⁻³ 1/h, based on medroxyprogesterone acetate), LAI slow (default 2.08×10⁻⁴ 1/h, based on levonorgestrel butanoate).
Bug fixes
  • 12-log kill PD curve floor: Parasitemia curve now correctly stays at the minimum value after parasite clearance without bouncing back.
  • Checkbox synchronisation: Per-compound checkbox state is managed via a dedicated MMVshiny input type; duplicate DOM IDs in the LAI tab resolved.
  • Test suite updated: Tests redesigned with shinytest2; reference report files updated to match current output format.

Release Notes — v1.6.0

  • 21-day and 28-day > MIC dose predictions added to the Predict Dose dialog and Excel report.
  • SCID EC50 and SCID Hill included as user inputs for SCID-based dose prediction.
  • Absorption rate (Ka) made a user-editable input parameter (previously fixed at 1.0 /h).
  • Dual renv lock files (renv.R3.lock / renv.R4.lock) for R 3 and R 4 compatibility.
  • Default value source shown in User Inputs report sheet.

Contact

For questions or feedback, please contact:

Medicines for Malaria Venture (MMV)
Route de Pré-Bois 20, 1215 Geneva 15, Switzerland
www.mmv.org

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