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Human hepatic clearance from in-vitro CLint, with the error band measured on known drugs.

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calc_clhep

Hepatic and plasma clearance from in-vitro CLint, fu,mic and fu,p (IVIVE), with the observed-CL band and applicability warnings. If fu,p or fu,mic came from predict_inputs, tell the user the result rests on predicted inputs.

fu_pnumber, required

Unbound fraction in plasma (0–1). Plasma protein binding correction.

clintnumber, required

Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid.

fu_micnumber, required

Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.

speciesstring, required

Species for physiological parameters (Qh, MPPGL, liver weight).

rbnumber

Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.

modelstring

IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion).

assay_typestring

Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3.

correction_idstring

Saved lab correction (/api/correction-equations) to apply. Must match species and assay_type. Corrects predicted plasma CL and replaces the reference band with one from the lab's compounds.

clint_censoredboolean

Set when the assay reported CLint below its limit of quantification and `clint` is that limit rather than a measurement. CLint then lies in [0, clint), so every clearance output is an upper bound: `upper_bound` is true, no observed-CL band is returned, and the clint_below_loq flag fires.

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Call this server's tools from your browser. Nothing to install.

https://api.ivive.app/mcp/

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calc_clhep

fu_pnumber, required

Unbound fraction in plasma (0–1). Plasma protein binding correction.

clintnumber, required

Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid.

fu_micnumber, required

Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.

speciesstring, required

Species for physiological parameters (Qh, MPPGL, liver weight).

rbnumber

Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.

modelstring

IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion).

assay_typestring

Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3.

correction_idstring

Saved lab correction (/api/correction-equations) to apply. Must match species and assay_type. Corrects predicted plasma CL and replaces the reference band with one from the lab's compounds.

clint_censoredboolean

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Tools (6)

calc_clhep

Argument	Type	Description
rb	number	Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.
fu_p*	number	Unbound fraction in plasma (0–1). Plasma protein binding correction.
clint*	number	Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid.
model	string	IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion).
fu_mic*	number	Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.
species*	string	Species for physiological parameters (Qh, MPPGL, liver weight).
assay_type	string	Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3.
correction_id	any	Saved lab correction (/api/correction-equations) to apply. Must match species and assay_type. Corrects predicted plasma CL and replaces the reference band with one from the lab's compounds.
clint_censored	boolean	Set when the assay reported CLint below its limit of quantification and `clint` is that limit rather than a measurement. CLint then lies in [0, clint), so every clearance output is an upper bound: `upper_bound` is true, no observed-CL band is returned, and the clint_below_loq flag fires.

Input schema (JSON)

{
  "type": "object",
  "title": "CLhepRequest",
  "required": [
    "clint",
    "fu_mic",
    "fu_p",
    "species"
  ],
  "properties": {
    "rb": {
      "type": "number",
      "title": "Rb",
      "default": 1,
      "maximum": 50,
      "description": "Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.",
      "exclusiveMinimum": 0
    },
    "fu_p": {
      "type": "number",
      "title": "Fu P",
      "maximum": 1,
      "minimum": 0,
      "description": "Unbound fraction in plasma (0–1). Plasma protein binding correction."
    },
    "clint": {
      "type": "number",
      "title": "Clint",
      "minimum": 0,
      "description": "Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid."
    },
    "model": {
      "enum": [
        "well-stirred",
        "parallel-tube"
      ],
      "type": "string",
      "title": "Model",
      "default": "well-stirred",
      "description": "IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion)."
    },
    "fu_mic": {
      "type": "number",
      "title": "Fu Mic",
      "maximum": 1,
      "description": "Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.",
      "exclusiveMinimum": 0
    },
    "species": {
      "enum": [
        "human",
        "rat",
        "dog"
      ],
      "type": "string",
      "title": "Species",
      "description": "Species for physiological parameters (Qh, MPPGL, liver weight)."
    },
    "assay_type": {
      "enum": [
        "microsomes",
        "hepatocytes"
      ],
      "type": "string",
      "title": "Assay Type",
      "default": "microsomes",
      "description": "Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3."
    },
    "correction_id": {
      "anyOf": [
        {
          "type": "string",
          "format": "uuid"
        },
        {
          "type": "null"
        }
      ],
      "title": "Correction Id",
      "default": null,
      "description": "Saved lab correction (/api/correction-equations) to apply. Must match species and assay_type. Corrects predicted plasma CL and replaces the reference band with one from the lab's compounds."
    },
    "clint_censored": {
      "type": "boolean",
      "title": "Clint Censored",
      "default": false,
      "description": "Set when the assay reported CLint below its limit of quantification and `clint` is that limit rather than a measurement. CLint then lies in [0, clint), so every clearance output is an upper bound: `upper_bound` is true, no observed-CL band is returned, and the clint_below_loq flag fires."
    }
  }
}

input_sensitivity

How far plasma CL moves as each input is varied over a range, e.g. a predicted fu,p over its 50% range.

Argument	Type	Description
rb	number	Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.
fu_p*	number	Unbound fraction in plasma (0–1). Plasma protein binding correction.
clint*	number	Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid.
model	string	IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion).
fu_mic*	number	Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.
species*	string	Species for physiological parameters (Qh, MPPGL, liver weight).
assay_type	string	Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3.
fu_p_range	any	A predicted fu,p carries its 50% range; pass it to see what it costs.

predict_inputs

Predict fu,p and fu,inc from a SMILES, with structure-only human CL and Vss as second opinions. Predictions, not measurements; check the applicability verdict.

Argument	Type	Description
smiles*	string	Structure as SMILES.
assay_type	string
concentration	number	Incubation concentration: mg microsomal protein/mL, or 10⁶ hepatocytes/mL.

Input schema (JSON)

{
  "type": "object",
  "title": "PredictionRequest",
  "required": [
    "smiles"
  ],
  "properties": {
    "smiles": {
      "type": "string",
      "title": "Smiles",
      "maxLength": 2000,
      "description": "Structure as SMILES."
    },
    "assay_type": {
      "enum": [
        "microsomes",
        "hepatocytes"
      ],
      "type": "string",
      "title": "Assay Type",
      "default": "microsomes"
    },
    "concentration": {
      "type": "number",
      "title": "Concentration",
      "default": 1,
      "maximum": 10,
      "description": "Incubation concentration: mg microsomal protein/mL, or 10⁶ hepatocytes/mL.",
      "exclusiveMinimum": 0
    }
  }
}

scale_to_human

Predict human plasma CL from observed animal in-vivo CL (rat, dog, monkey), every applicable method with its measured error. Observed animal CL only, never predicted.

Argument	Type	Description
animals*	array
fu_p_human	any	Human unbound fraction, needed by the fu-corrected methods

Input schema (JSON)

{
  "type": "object",
  "$defs": {
    "SpeciesPoint": {
      "type": "object",
      "title": "SpeciesPoint",
      "required": [
        "species",
        "cl"
      ],
      "properties": {
        "cl": {
          "type": "number",
          "title": "Cl",
          "maximum": 1000,
          "description": "Observed plasma CL, mL/min/kg",
          "exclusiveMinimum": 0
        },
        "fu_p": {
          "anyOf": [
            {
              "type": "number",
              "maximum": 1,
              "exclusiveMinimum": 0
            },
            {
              "type": "null"
            }
          ],
          "title": "Fu P",
          "default": null,
          "description": "Unbound fraction in plasma for this species"
        },
        "species": {
          "type": "string",
          "title": "Species",
          "description": "One of ['dog', 'monkey', 'rat']"
        }
      },
      "description": "One animal's measured in-vivo plasma clearance, and optionally its binding."
    }
  },
  "title": "ScalingRequest",
  "required": [
    "animals"
  ],
  "properties": {
    "animals": {
      "type": "array",
      "items": {
        "$ref": "#/$defs/SpeciesPoint"
      },
      "title": "Animals",
      "minItems": 1
    },
    "fu_p_human": {
      "anyOf": [
        {
          "type": "number",
          "maximum": 1,
          "exclusiveMinimum": 0
        },
        {
          "type": "null"
        }
      ],
      "title": "Fu P Human",
      "default": null,
      "description": "Human unbound fraction, needed by the fu-corrected methods"
    }
  }
}

similar_drugs

Nearest reference drugs to a SMILES (Tanimoto, Morgan radius 2), each with measured human plasma CL and the CL IVIVE predicted from its measured inputs. Use it to judge how far to trust calc_clhep for this chemotype: if IVIVE missed on the neighbours, expect it to miss here. Returns neighbours only, not a prediction for the query.

Argument	Type	Description
n	integer	How many reference drugs to return, nearest first.
smiles*	string	Structure as SMILES.

Input schema (JSON)

{
  "type": "object",
  "title": "SimilarityRequest",
  "required": [
    "smiles"
  ],
  "properties": {
    "n": {
      "type": "integer",
      "title": "N",
      "default": 3,
      "maximum": 10,
      "minimum": 1,
      "description": "How many reference drugs to return, nearest first."
    },
    "smiles": {
      "type": "string",
      "title": "Smiles",
      "maxLength": 2000,
      "description": "Structure as SMILES."
    }
  }
}

target_clint

The in-vitro CLint an assay must read for a compound to reach a target plasma clearance (mL/min/kg): calc_clhep run backwards, e.g. to set a CLint cut-off for a screening cascade. Needs fu,mic and fu,p; refuses a target at or above the liver blood flow ceiling and returns that ceiling. Uncorrected IVIVE, so no error band.

Argument	Type	Description
rb	number	Blood-to-plasma concentration ratio; raises the plasma CL ceiling (Qh × Rb).
fu_p*	number	Unbound fraction in plasma (0–1).
model	string	IVIVE liver model to invert.
fu_mic*	number	Unbound fraction in the incubation (0–1) the CLint would be measured at.
species*	string	Species whose liver blood flow and scaling factors apply.
assay_type	string	Assay the CLint is for; sets its units (µL/min/mg protein or µL/min/10⁶ cells).
target_clp*	number	Plasma clearance to aim for (mL/min/kg). Must be below hepatic blood flow × Rb.

Input schema (JSON)

{
  "type": "object",
  "title": "TargetClintRequest",
  "required": [
    "target_clp",
    "fu_mic",
    "fu_p",
    "species"
  ],
  "properties": {
    "rb": {
      "type": "number",
      "title": "Rb",
      "default": 1,
      "maximum": 50,
      "description": "Blood-to-plasma concentration ratio; raises the plasma CL ceiling (Qh × Rb).",
      "exclusiveMinimum": 0
    },
    "fu_p": {
      "type": "number",
      "title": "Fu P",
      "maximum": 1,
      "description": "Unbound fraction in plasma (0–1).",
      "exclusiveMinimum": 0
    },
    "model": {
      "enum": [
        "well-stirred",
        "parallel-tube"
      ],
      "type": "string",
      "title": "Model",
      "default": "well-stirred",
      "description": "IVIVE liver model to invert."
    },
    "fu_mic": {
      "type": "number",
      "title": "Fu Mic",
      "maximum": 1,
      "description": "Unbound fraction in the incubation (0–1) the CLint would be measured at.",
      "exclusiveMinimum": 0
    },
    "species": {
      "enum": [
        "human",
        "rat",
        "dog"
      ],
      "type": "string",
      "title": "Species",
      "description": "Species whose liver blood flow and scaling factors apply."
    },
    "assay_type": {
      "enum": [
        "microsomes",
        "hepatocytes"
      ],
      "type": "string",
      "title": "Assay Type",
      "default": "microsomes",
      "description": "Assay the CLint is for; sets its units (µL/min/mg protein or µL/min/10⁶ cells)."
    },
    "target_clp": {
      "type": "number",
      "title": "Target Clp",
      "description": "Plasma clearance to aim for (mL/min/kg). Must be below hepatic blood flow × Rb.",
      "exclusiveMinimum": 0
    }
  }
}

{ "type": "object", "$defs": { "InputRange": { "type": "object", "title": "InputRange", "required": [ "low", "high" ], "properties": { "low": { "type": "number", "title": "Low", "exclusiveMinimum": 0 }, "high": { "type": "number", "title": "High", "exclusiveMinimum": 0 } } } }, "title": "SensitivityRequest", "required": [ "clint", "fu_mic", "fu_p", "species" ], "properties": { "rb": { "type": "number", "title": "Rb", "default": 1, "maximum": 50, "description": "Blood-to-plasma concentration ratio. fu_b = fu_p / Rb. Output is blood clearance.", "exclusiveMinimum": 0 }, "fu_p": { "type": "number", "title": "Fu P", "maximum": 1, "minimum": 0, "description": "Unbound fraction in plasma (0–1). Plasma protein binding correction." }, "clint": { "type": "number", "title": "Clint", "minimum": 0, "description": "Intrinsic clearance (µL/min/mg microsomal protein). Use ge=0: zero clearance is physiologically valid." }, "model": { "enum": [ "well-stirred", "parallel-tube" ], "type": "string", "title": "Model", "default": "well-stirred", "description": "IVIVE model. well-stirred (venous equilibrium) or parallel-tube (sinusoidal perfusion)." }, "fu_mic": { "type": "number", "title": "Fu Mic", "maximum": 1, "description": "Unbound fraction in microsomes (0–1). Corrects for non-specific microsomal binding.", "exclusiveMinimum": 0 }, "species": { "enum": [ "human", "rat", "dog" ], "type": "string", "title": "Species", "description": "Species for physiological parameters (Qh, MPPGL, liver weight)." }, "assay_type": { "enum": [ "microsomes", "hepatocytes" ], "type": "string", "title": "Assay Type", "default": "microsomes", "description": "Assay type for CLint scaling. microsomes: uses MPPGL (mg/g) × 1e-3; hepatocytes: uses HPGL (×10⁶ cells/g) × 1e-3." }, "fu_p_range": { "anyOf": [ { "$ref": "#/$defs/InputRange" }, { "type": "null" } ], "default": null, "description": "A predicted fu,p carries its 50% range; pass it to see what it costs." }, "clint_range": { "anyOf": [ { "$ref": "#/$defs/InputRange" }, { "type": "null" } ], "default": null }, "fu_mic_range": { "anyOf": [ { "$ref": "#/$defs/InputRange" }, { "type": "null" } ], "default": null }, "correction_id": { "anyOf": [ { "type": "string", "format": "uuid" }, { "type": "null" } ], "title": "Correction Id", "default": null, "description": "Saved lab correction (/api/correction-equations) to apply. Must match species and assay_type. Corrects predicted plasma CL and replaces the reference band with one from the lab's compounds." }, "clint_censored": { "type": "boolean", "title": "Clint Censored", "default": false, "description": "Set when the assay reported CLint below its limit of quantification and `clint` is that limit rather than a measurement. CLint then lies in [0, clint), so every clearance output is an upper bound: `upper_bound` is true, no observed-CL band is returned, and the clint_below_loq flag fires." } }, "description": "The same inputs as a calculation, plus the range to vary each over." }