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◆ 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.
4
Discovery
11
Pre-clinical
15
Clinical
2
CMC
The approach
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.
Contact us◆ What it does for you
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Significantly cut Research and Development costs
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Improve safety of new drugs
◆ The pipeline, in one platform
From discovery to dosage form.
◆ Ch. 01 · Discovery
Discovery Solutions
From a query compound to a credible candidate.
04 solutions
InSilicoDISCOVERY SuiteDiscoveryDrug 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.
InSilicoDISCOVERY SuiteDiscoveryMolecular 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.
InSilicoDISCOVERY SuiteDiscoveryEpitopes Identification
Deep Learning-based. Predicts protein-protein interactions probability through 2D maps.
InSilicoDISCOVERY SuiteDiscoveryPhysChem Properties Including BBB
Quantifies Blood-Brain-Barrier (BBB) permeability to predict whether a compound will cross the BBB. In addition, the tool predicts a whole range of molecular PhysChem properties.
◆ Ch. 02 · Pre-clinical
Pre-clinical Solutions
Safety, mechanism, toxicology — before the lab.
11 solutions
InSilicoDISCOVERY SuitePre-clinicalMacrophages Polarization
Predicts phenotype changes towards M1 and M2 phenotypes (M1 and M2 scores) in an in vitro polarization experiment with customizable experimental conditions.
Pre-clinicalChemotoxicity
Evaluates a compound's toxicological profile by in silico assessment of the major toxicological endpoints (e.g. genotoxicity, neurotoxicity, carcinogenicity, skin irritation, etc.).
Pre-clinicalMutagenicity
Assesses a compound's mutagenicity potential by combining two complementary quantitative structure-activity methodologies, as by ICH M7 guidelines.
InSilicoIMMUNO SuitePre-clinicalImmunogenicity Risk Screen
Early immunogenicity risk screen emulates the CD4+ T-cells proliferation assay to determine the potential immunogenicity risk of new protein sequences.
InSilicoCARDIO SuitePre-clinicalQT/TdP Risk Screen
A machine learning-based tool to predict a compound's proarrhythmic risk using electrophysiology and machine learning.
InSilicoCARDIO SuitePre-clinicalSTrhiPS
Enables in silico safety trials on a population of human-induced pluripotential stem cells.
InSilicoCARDIO SuitePre-clinicalCiPA InSilico
Estimates the safety marker qNet based on up to 7 ion channels in vitro data at different concentrations, as by FDA recommendations.
Pre-clinicalADME Properties
Prediction of ADME properties of a compound (absorption, distribution, metabolism and elimination).
Pre-clinicalHemochromatosis
Predictions of the iron distribution and elimination pathway in a virtual hemochromatosis mouse based on a system-biology model.
Pre-clinicalMammary Carcinoma
Predictions of the immunotherapy treatment effect in a virtual population of mice with mammary carcinoma.
InSilicoENDOPre-clinicalInsulin Injection
Estimates insulin injection, skin absorption and residual volume in an injection port device over time via Computational Fluid Dynamics.
◆ Ch. 03 · Clinical
Clinical Solutions
Virtual patients, synthetic arms, trial simulation.
15 solutions
InSilicoONCO SuiteClinicalPCa GnRH Agonists Simulator
Enables simulations of clinical trials on a virtual population of prostate cancer patients being treated with a gonadotropin GnRH agonist.
InSilicoONCO SuiteClinicalCTx NeutroSim
Performs in silico clinical trials to assess the neutropenic effects of a chemotherapeutic agent in a virtual population of cancer patients.
InSilicoNEURO SuiteClinicalMS 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.
InSilicoNEURO SuiteClinicalAmyotrophic Lateral Sclerosis
Generates synthetic control arms for amyotrophic lateral sclerosis (ALS) clinical trials by predicting disease progression with virtual patients.
InSilicoNEURO SuiteClinicalGaucher Disease (Types 1/3)
Sphingolipid metabolism-based modelling to support orphan disease drug development.
InSilicoNEURO SuiteClinicalParkinson's Disease
Virtual GBA-PD patients for in silico clinical trials.
InSilicoNEURO SuiteClinicalSystemic Lupus Erythematosus
Mechanistic modelling supporting Lupus patients.
InSilicoNEURO SuiteClinicalNeuromyelitis Optica
Supporting NMO drug design and development.
InSilicoENDO SuiteClinicalInfertility Virtual Patients
Simulates the (dys)functional hormonal system guiding the menstrual cycle and treatment effects in female virtual patients in assisted reproduction clinical trials.
InSilicoENDO SuiteClinicalBone Mineral Density Safety
Describes potential changes in bone mineral density over time, due to i.e. age and other factors such as adverse effects of drugs.
InSilicoENDO SuiteClinicalPolycystic Ovary Syndrome
Simulates disease progression and treatment effects in polycystic ovary syndrome (PCOS) virtual patients.
InSilicoENDO SuiteClinicalDiabetes Virtual Populations
Predicts the effect of anti-diabetic drugs and therapies in a virtual population.
InSilicoVACCINE SuiteClinicalInSilicoVaccine Suite
Computational tools for every step in the design and development of a vaccine or combination therapy.
ClinicalIn Silico Microbiome
Our solution leverages machine learning to uncover new drug-disease-microbe associations and predict indications for microbiome-based therapies.
ClinicalIntra-Articular Injection
Analyzes dissolution, diffusion and transfer of drug from intra-articular knee space to the plasma, based on physiologically-based pharmacokinetic modeling.
◆ Ch. 04 · CMC · Manufacturing
Manufacturing Solutions
From dosage form to fluid-granular process.
02 solutions
CMCCMCSimTabletCoater
Virtually experiment tablet coating process for pharmaceutical applications, to establish the desired setup in terms of coater rotation speed, mass of tablets, and composition of the spray applied over time.
CMCCMCXPS
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.
◆ Ready to accelerate your R&D?