Solutions for pharma

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.

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Accelerate the development
of new drugs

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Significantly cut Research
and Development costs

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Improve safety of
new drugs

DISCOVERY

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

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DISCOVERY

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

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DISCOVERY

Epitopes Identification

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

DISCOVERY

PhysChem Properties

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

DISCOVERY

Blood Brain Barrier Penetration

Machine Learning -based. Predicts Blood Brain Barrier penetration

NONCLINICAL

Macrophages Polarization

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

NONCLINICAL

Chemotoxicity

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

NONCLINICAL

Mutagenicity

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

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NONCLINICAL

InSilicoIMMUNO

Immunogenicity Risk Screen

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

NONCLINICAL

InSilicoCARDIO 

QT/TdP Risk Screen

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

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NONCLINICAL

InSilicoCARDIO 

STrhiPS

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

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NONCLINICAL

InSilicoCARDIO 

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

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NONCLINICAL

ADME Properties

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

NONCLINICAL

Hemochromatosis

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

NONCLINICAL

InSilicoONCO

Mammary Carcinoma

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

NONCLINICAL

InSilicoENDO

Insulin Injection

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

CLINICAL

InSilicoONCO

PCa GnRH Agonists Simulator

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

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CLINICAL

InSilicoONCO

CTx NeutroSim

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

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CLINICAL

InSilicoNEURO 

MS TreatSim

Generates in silico trials and personalized therapeutic effect predictions in relapsing-remitting multiple sclerosis, by predicting disease activity and treatment effects in virtual patients

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CLINICAL

InSilicoNEURO

Amyotrophic Lateral Sclerosis

Generates synthetic control arms for amyotrophic lateral sclerosis (ALS) clinical trials by predicting disease progression with virtual patients

CLINICAL

InSilicoENDO

Infertility Virtual Patients

Simulates the (dys)functional hormonal system guiding the menstrual cycle and treatment effects in female virtual patients in assisted reproduction clinical trials

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CLINICAL

InSilicoENDO

Polycystic Ovary Syndrome

Simulates disease progression and treatment effects in polycystic ovary syndrome (PCOS) virtual patients

CLINICAL

InSilicoENDO

Diabetes Virtual Populations

Predicts the effect of anti-diabetic drugs and therapies in a virtual population

CLINICAL

InSilicoVACCINE

InSilicoVaccine Suite

Computational tools for every step in the design and development of a vaccine or combination therapy

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CLINICAL

REUMATOLOGY

Intra-Articular Injection

Analyzes dissolution, diffusion and transfer of drug from intra-articular knee space to the plasma, based on physiologically-based pharmacokinetic modeling

MANUFACTURING

CMC

SimTabletCoater

Virtually experiment tablet coating process for pharmaceutical applications, in order to establish the desired setup in terms of coater rotation speed, mass of tablets in the coater, amount and composition of the spray applied over time

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MANUFACTURING

CMC

XPS

XPS (eXtended Particle Simulation) is a highly efficient simulation solution to better understand, control and predict pharmaceutical fluid-granular processes, to enhance efficiency and improve product quality

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