Advanced computational research services designed to accelerate discovery pipelines.
ICAD provides advanced computational research services for academia, biotech, and industry, with workflows shaped for mechanistic insight, predictive intelligence, and optimized lead discovery.
Service Positioning
A structured pathway from screening to mechanistic insight to AI-driven discovery.
All analyses are performed with reproducible computational protocols suitable for academic publication and serious research engagement.
From molecular data to mechanistic insight, predictive intelligence, and optimized leads.
The ICAD discovery pipeline is organized into expandable stages so teams can inspect the methods, the technical work, and the scientific value without losing the overall flow.
Methods & Tools
LC-MS reconstruction, RDKit, Open Babel, UniProt, PDB, AlphaFold, SWISS-MODEL
What We Do
Build accurate 3D structures of compounds and target proteins.
Why It Matters
We digitally recreate your molecules and targets so they can be tested on a computer before lab work.
Three structured tiers from screening and interaction to elite discovery depth.
The package architecture is designed as a clear pathway from preliminary evaluation to publication-grade, AI-driven discovery support.
Publication-grade, grant-level, industrial research
Premium Elite Discovery Suite
Full AI-driven discovery pipeline with publication-ready outputs, deep mechanistic interpretation, and extended support.
Publication readiness
High
Timeline
10 to 14 weeks
Deliverables
Full technical dossier plus publication figures
Revision support
Extended until submission-ready
Engagement fee
Request a tailored quote
MSc/PhD-level research, structured analysis
Intermediate Advanced Analytics
Deeper modeling with mechanistic insights, structured analysis, and moderate publication readiness.
Publication readiness
Moderate
Timeline
5 to 7 weeks
Deliverables
Structured scientific report
Revision support
Standard
Engagement fee
Request a tailored quote
Preliminary evaluation, feasibility studies
Preliminary Screening & Interaction
Fast, cost-effective computational evaluation focused on early interaction insight and feasibility screening.
Publication readiness
Limited
Timeline
2 to 3 weeks
Deliverables
Concise technical report
Revision support
Limited
Engagement fee
Request a tailored quote
Capability Comparison
All tiers are executed using reproducible computational workflows aligned with international research and publication standards.
Focused technical capabilities across modelling, AI, simulation, and interpretation.
The ICAD service catalogue is broad, but each capability is positioned as part of a coherent scientific delivery model.
QSAR & Machine Learning Models
Generative Modelling
Structure-based Drug Design
Ligand-based Drug Design
Fragment-based Drug Design
Pharmacophore Modeling
Molecular Docking & Virtual Screening
Molecular Dynamics Simulations
Binding Free Energy Calculations (MM-GBSA)
Pharmacokinetic, Absorption, Distribution, Metabolism, Excretion and Toxicity Analysis
AI-Driven Lead Optimization
Retrosynthetic Combinatorial Analysis Procedure
Molecular visualization and binding interaction analysis
Built for high-value scientific environments that depend on rigorous interpretation.
ICAD supports multiple sectors where computational insight shapes discovery, decision-making, and translational value.
Pharmaceutical & Biotech
Agrochemical & Bioinsecticide Development
Academic Research Institutions
Chemical & Material Science Industries
Tailored computational support for your research needs.
Use the form to describe your project scope, timelines, and service needs. ICAD workflows are structured for exploratory studies, mechanistic analysis, and publication-aligned discovery programs.
Strong requests usually include the discovery objective, target context, computational questions, desired outputs, and timeline or budget constraints that should shape the work plan. All tiers are built on reproducible computational protocols.