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.
smilesrequiredassay_typeconcentrationapp.ivivePublished by ivive.appOfficial publisherv1.0.3Updated Oct 29, 2026
Human hepatic clearance from in-vitro CLint, with the error band measured on known drugs.
Remote MCP server for ADME/IVIVE calculations in early drug discovery: predicts human clearance inputs and hepatic clearance from SMILES and in-vitro data.
Web executable via Streamable HTTP. Remote servers run from the web runtime once configured in a workspace.
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{
"mcpServers": {
"ivive-app": {
"type": "http",
"url": "https://api.ivive.app/mcp/"
}
}
}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.
smilesrequiredassay_typeconcentrationHepatic 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.
rbfu_prequiredclintrequiredmodelfu_micrequiredspeciesrequiredassay_typecorrection_idclint_censoredThe 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.
rbfu_prequiredmodelfu_micrequiredspeciesrequiredassay_typetarget_clprequiredHow far plasma CL moves as each input is varied over a range, e.g. a predicted fu,p over its 50% range.
rbfu_prequiredclintrequiredmodelfu_micrequiredspeciesrequiredassay_typefu_p_rangeclint_rangefu_mic_rangecorrection_idclint_censoredNearest 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.
nsmilesrequiredPredict 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.
animalsrequiredfu_p_human83% of the applicable checks met
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