We combine molecular physics with AI-driven acceleration to revolutionize in silico drug discovery. Our intuitive AI assistant requires no computational expertise, making cutting-edge research accessible to all. Backed by a world-class team of computational scientists, medicinal chemists, physicists, and biologists, we tackle the toughest challenges in drug discovery.

Searching for a drug like a needle in a haystack? We’ll find it for you.

Balto AI

No-code chemistry, docking, and drug discovery — made simple.

Retrieve and Analyze Data: Search across PDB, ChEMBL, UniProt, PubChem, BindingDB, and patents. Extract insights from PDFs, convert between SMILES, CAS, and IUPAC identifiers.
Profile Molecules: Predict key drug-like properties (LogP, LogS, LogD), ADMET risks (hERG, CYP450, Ames), and synthetic accessibility.
Investigate Proteins: Locate binding pockets, align structures, and prepare proteins for docking.
Dock Smarter: Perform fast, high-accuracy ligand docking — optimized for speed, performance, and no-code simplicity.
Visualize Interactively: Render 2D and 3D molecular structures, docking poses, binding pockets, and structural comparisons with ease.

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Code-Based / API Access

Code-first drug discovery — docking, free energy, and molecular analysis at scale.

Work with Proteins: Clean structures, fill missing loops, remove water and ions, select chains, and export prepared models.
Analyze Ligands: Build from SMILES, SDF, or identifiers. Minimize structures, calculate ADMET, compute MCS, and export to SDF/MOL/PDB.
Visualize Everything: Interactive 2D/3D visualization of proteins, ligands, docking poses, FEP networks, etc.
Run Docking: Detect binding pockets, define custom boxes, and perform docking. View poses, scores, and export SDFs for downstream analysis.
Simulate Binding with ABFE/RBFE: Run full end-to-end simulation, with full parameter control and trajectory visualization.

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Many Molecules Don't Work - You Need More Molecules and Fewer Misses

Our tools and partnerships mean fewer molecules that don't work. Let us help you generate ideas and evaluate across multiple parameters faster in silico, before any synthesis

Our Partnerships Save You Time and Money

Combining highly accurate physics-based methods with advanced AI to streamline small molecule drug discovery, our experts are skilled at challenging targets. Let us accelerate your drug process.

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