SOLUTIONS FOR PHARMA

Transforming Pharma R&D

InSilicoTrials specializes in using Modeling and Simulation (M&S) and AI to facilitate drug discovery in every step, covering the whole process from nonclinical to clinical trials.

Our goal is to help pharmaceutical companies and researchers develop new drugs more efficiently and at a lower cost by reducing the need for traditional, time-consuming, and expensive clinical trials. With our cloud-based platform offering advanced M&S tools to perform in silico trials analyses, we support companies to integrate AI and simulation technology into their drug development workflows.

Accelerate the development
of new drugs

Significantly cut Research
and Development costs

Improve safety of
new drugs

Drug Repurposing

InSilicoDISCOVERY Suite
DISCOVERY SOLUTIONS

Drug Repurposing

Predicts putative biological targets and corresponding bioactivity of a query compound based on a large database covering a chemical space of more than 600.000 molecules and 1.000.000 activity records

Molecular Docking

InSilicoDISCOVERY Suite
DISCOVERY SOLUTIONS

Molecular Docking

Explores the interactions between a ligand towards a biological target at the molecular level, evaluates potential target-ligand combinations and quantifies target-ligand binding affinities

Epitopes Identification

InSilicoDISCOVERY Suite
DISCOVERY SOLUTIONS

Epitopes Identification

Deep Learning - based. Predicts protein-protein interactions probability through 2D maps

PhysChem Properties Including BBB

InSilicoDISCOVERY Suite
DISCOVERY SOLUTIONS

PhysChem Properties Including BBB

Quantifies Blood-Brain-Barrier (BBB) permeability to predict whether a compound will cross the BBB. In addition, the tools predicts a whole range of molecular PhysChem properties

Macrophages
Polarization

InSilicoDISCOVERY Suite
PRE-CLINICAL SOLUTIONS

Macrophages Polarization

Predicts phenotype changes towards M1 and M2 phenotypes (M1 and M2 scores) in an in vitro polarization experiment with customizable experimental conditions

Chemotoxicity

PRE-CLINICAL SOLUTIONS

Chemotoxicity

Evaluates a compound’s toxicological prolife by in silico assessment of the major toxicological endpoints (e.g. genotoxicity, neurotoxicity, carcinogenicity, skin irritation, etc.)

Mutagenicity

PRE-CLINICAL SOLUTIONS

Mutagenicity

Assesses a compound’s mutagenicity potential by combining two complementary quantitative structure-activity methodologies, as by ICH M7 guidelines

Immunogenicity Risk Screen

InSilicoIMMUNO Suite
PRE-CLINICAL SOLUTIONS

Immunogenicity Risk Screen

Early immunogenecity risk screen emulates the CD4+ T-cells proliferation assay to determine the potential immunogenicity risk of new protein sequences

QT/TdP Risk Screen

InSilicoCARDIO Suite
PRE-CLINICAL SOLUTIONS

QT/TdP Risk Screen

A machine learning-based tool to predict a compound’s proarrhythmic risk using electrophysiology and machine learning

STrhiPS

InSilicoCARDIO Suite
PRE-CLINICAL SOLUTIONS

STrhiPS

Enables in silico safety trials on a population of human-induced pluripotential stem cells

CiPA InSilico

InSilicoCARDIO Suite
PRE-CLINICAL SOLUTIONS

CiPA InSilico

Estimates Estimation of the safety marker qNet based on up to 7 ion channels in vitro data at different concentrations, as by FDA recommendations

ADME Properties

PRE-CLINICAL SOLUTIONS

ADME Properties

Prediction of ADME properties of a compound (absorption, distribution, metabolism and elimination)

Hemochromatosis

PRE-CLINICAL SOLUTIONS

Hemochromatosis

Predictions of the iron distribution and elimination pathway in a virtual hemochromatosis mouse based on a system-biology model

Mammary Carcinoma

PRE-CLINICAL SOLUTIONS

Mammary Carcinoma

Predictions of the immunotherapy treatment effect in a virtual population of mice with mammary carcinoma

Insulin Injection

InSilicoENDO
PRE-CLINICAL SOLUTIONS

Insulin Injection

Estimates insulin injection, skin absorption and residual volume in an injection port device over time via Computational Fluid Dynamics

PCa GnRH Agonists Simulator

InSilicoONCO Suite
CLINICAL SOLUTIONS

PCa GnRH Agonists Simulator

Enables simulations of clinical trials on a virtual population of prostate cancer patients being treated with a gonadotropin GnRH agonist

CTx NeutroSim

InSilicoONCO Suite
CLINICAL SOLUTIONS

CTx NeutroSim

Performs In silico clinical trials to assess the neutropenic effects of a chemotherapeutic agent in a virtual population of cancer patients