U. Fagerholm

ANDROMEDA by Prosilico and log D outperform human hepatocytes for the prediction of intrinsic hepatic metabolic clearance of carboxylic acids

This paper compares human hepatocytes, log D, and the ANDROMEDA software for predicting in vivo intrinsic hepatic metabolic clearance of carboxylic acids, finding that log D and ANDROMEDA outperform hepatocytes.

Exploring Relationships Between In Vitro Aqueous Solubility and Permeability and In Vivo Fraction Absorbed

This study examines the relationship between in vitro solubility and permeability and in vivo fraction absorbed, finding no predictive value of solubility and moderate predictive power of Caco-2 permeability.

In silico predictions of the hepatic metabolic clearance in humans for 10 drugs with highly variable in vitro pharmacokinetics

This study compares in vitro and in silico methods for predicting hepatic metabolic clearance of 10 drugs, finding that the in silico approach significantly reduces prediction errors.

Prediction of the Human Pharmacokinetics of 30 Modern Antibiotics Using the ANDROMEDA Software

The paper uses ANDROMEDA software to predict human pharmacokinetics of 30 antibiotics, showing high accuracy and validating its use for drugs with complex pharmacokinetic properties.

Application of the ANDROMEDA Software for Prediction of the Human Pharmacokinetics of Modern Anticancer Drugs

The paper uses ANDROMEDA to predict human pharmacokinetics of 12 anticancer drugs, showing high accuracy and consistency with previous studies.

Comparing in silico and in vitro methods for classification of BCS II and CYP3A4 and MDR-1 substrate specificity

The paper compares in silico and in vitro methods for classifying BCS II, MDR-1, and CYP3A4 substrate specificity, finding higher inconsistency in lab data than in silico predictions.

Predicting the Influence of Fat Food Intake on the Absorption and Systemic Exposure of Small Drugs using ANDROMEDA by Prosilico Software

This paper evaluates ANDROMEDA's ability to predict fat food-drug interactions using molecular structure and dose, comparing it to PBPK models and showing similar accuracy with lower error and broader applicability.

Predicting Gastrointestinal Absorption of Prodrugs and their Drugs with the ANDROMEDA by Prosilico Software

The paper uses ANDROMEDA software to predict absorption properties of prodrugs and their drugs, finding similar average passive absorption and dissolution potential, with some prodrugs showing higher absorption than their drugs.

Evaluation of the reliability and applicability of human unbound brain-to-plasma concentration ratios

The paper evaluates the reliability of human unbound brain-to-plasma concentration ratios for predicting brain uptake, finding poor correlation between rat and human data and limited predictive value of efflux transporters.

Validation of predicted conformal intervals for prediction of human clinical pharmacokinetics

The paper validates conformal prediction intervals for human pharmacokinetic parameters using ANDROMEDA software, showing 78% of observed data within 70% confidence intervals.

ANDROMEDA by Prosilico Software Successfully Predicts Human Clinical Pharmacokinetics of 300 Drugs Out of Reach for In Vitro Methods

The paper predicts human clinical pharmacokinetics for 300 drugs that are not measurable by in vitro methods using the ANDROMEDA software, with predictions aligning with in vivo data.

Prediction and Classification of the Uptake and Disposition of Antidepressants and New CNS-Active Drugs in the Human Brain using the ANDROMEDA by Prosilico Software and Brainavailability-Matrix

The paper predicts brain uptake and disposition of antidepressants and CNS drugs using ANDROMEDA software and a Brainavailability-Matrix, showing high brainavailability and efflux are common in modern CNS drugs.

An analysis of laboratory variability and thresholds for human in vitro ADME/PK methods

This study evaluates variability across laboratories for human in vitro ADME/PK methods and finds large interlaboratory variability, making it difficult to set reliable clinical thresholds.

In vitro to in vivo pharmacokinetic translation guidance

The paper investigates in vitro-in vivo relationships for drug pharmacokinetic parameters and develops a translation guide to improve prediction accuracy.

Prediction of Biopharmaceutical Characteristics of PROTACs using the ANDROMEDA by Prosilico Software

The paper uses ANDROMEDA software to predict in vivo dissolution and absorption of PROTACs, showing limited absorption and moderate correlation between in vitro solubility and predicted in vivo dissolution.

Investigation of Molecular Weights and Pharmacokinetic Characteristics of Older and Modern Small Drugs

The paper compares molecular weights and pharmacokinetic profiles of older and modern small drugs, finding increased molecular weight and altered PK parameters, and highlights the predictive capability of ANDROMEDA.

Using the ANDROMEDA by Prosilico Software for Prediction of the Human Pharmacokinetics of 4 Compounds of Natural Origin - Colistin, Curucumin, UCN-01 and Voclosporin

The paper evaluates the ANDROMEDA by Prosilico software's ability to predict human pharmacokinetics for four natural compounds, finding mostly accurate predictions with notable errors for UCN-01.