## Platform Engines Multi-omics and transcriptomics for target discovery Structural biology, pocket detection and PTM analysis Docking, MD simulations and generative chemistry Quantum chemistry and compound property prediction Virtual cell assays and biological perturbation models Experimental orchestration (Coming Soon) Autonomous AI agent-driven research workflows 3D visualization, compound design and data management

## RevOmics

Multi-omics target identification using single-cell transcriptomics, epigenomics, and genetic risk analysis.

scRNA-seq clustering, UMAP and cell type annotation DNA methylation and epigenomics profiling Polygenic risk scoring, GWAS and genetic variant analysis

## RevTarget

Structural analysis, druggable binding site detection, and post-translational modification profiling.

Predict 3D protein structure from amino acid sequence Open-source structure prediction and protein folding Druggable binding site detection and allosteric pocket search Phosphorylation site prediction and kinase substrate mapping

## RevBind

The full computational binding toolkit: molecular docking, MD simulations, cheminformatics analytics, and generative chemistry.

RevDock: Molecular Docking and Co-folding

Static, flexible and ensemble virtual screening at scale Protein-ligand complex structure prediction via co-folding Generative structure-based binder design

RevAnalytics: Cheminformatics and SAR

ML-powered QSAR and activity prediction models 3D pharmacophore modeling and shape-based screening Docking protocol benchmarking and scoring evaluation

RevSynth: Generative Chemistry

De novo molecular library generation with generative AI Multi-objective lead optimization with reinforcement learning Custom generative model fine-tuning for focused libraries

RevDynamics: Molecular Dynamics Simulations

Protein-water MD for stability and conformational sampling Protein-ligand MD, binding kinetics and MM-GBSA Ligand-membrane permeability MD for GPCR targets

RevFEP: Free Energy Perturbation

Relative and absolute binding free energy (RBFE / ABFE) Protein mutation stability and binding affinity change (PMX)

## RevQuant

Quantum chemistry, ADMET profiling, retrosynthetic planning, and quantum simulation across eight specialized tools.

DFT geometry optimization and energy minimization HOMO-LUMO and frontier orbital analysis Aqueous solubility and solvation prediction Full ADMET profiling: PK, toxicity and drug-likeness Low-energy 3D conformational ensemble generation AI retrosynthetic route planning and synthetic accessibility Quantum simulation for binding energy and protein folding Transition state search and reaction activation energy

## RevSim

Virtual cell biology: in silico perturbation models and high-content assay simulation across the full drug discovery pipeline.

RevPerturb: Cell Perturbation Modeling

Virtual IC50 and dose-response cell viability prediction Gene regulatory network modeling and perturbation analysis Perturbation sequencing: single-cell CRISPR screen analysis and causal GRN inference

RevAssay: Virtual Assay Suite

Apoptosis, necrosis and caspase cascade prediction IL-6, TNF-a and cytokine storm immunotoxicity profiling mTOR, MAPK and PI3K downstream signaling analysis Cancer cell motility, wound healing and transwell invasion Growth rate inhibition metrics and GR50 antiproliferative analysis

## RevLab: Experimental Orchestration These experimental orchestration modules are in active development and will launch soon. Enzyme inhibition, fluorescence and luminescence-based biochemical screening automation High-content cell-based phenotypic imaging and in vitro screening workflows Automated synthesis routing, compound ordering and ELN integration

## RevIntel An autonomous AI agent that orchestrates multi-step drug discovery workflows across all Revilico engines, synthesizing findings, generating hypotheses, and producing structured research reports from target identification through to lead candidates.

## RevStudio

Design, visualize, and manage your research data across the entire drug discovery pipeline.

Interactive 3D molecular and structural visualization Structure-based compound design and editing workspace Multi-property compound triage and review interface AI-powered literature and patent scanning

RevData: Data Management

Centralized cloud storage for all experimental and computational data Collaborative data editing, annotation and review workflows Structured scientific notebooks for reproducible research

## Solutions

End-to-end workflows combining multiple Revilico engines to solve real-world drug discovery challenges, from first hypothesis to IND-ready candidate.

Multi-omics analysis, structural hypotheses, pocket druggability and therapeutic cell line selection Virtual screening, binding mechanism resolution and compound library prioritization Scaffold expansion, multi-parameter optimization and metabolite-inspired design Deep characterization, ADMET profiling, toxicity risk and synthetic route planning Cross-team collaboration, reproducibility, version control and pipeline transparency

The End-to-End Drug Discovery Platform