Cutting-edge molecular simulation with no code
Gather data from across web databases (ChEMBL, BindingDB, and others). Dock the identified molecules in a simple conversation. Get SOTA binding scores and AI-predicted chemical properties in minutes.
Gather data and model protein binding with a world-class docking algorithm in a simple AI-guided conversation.
Gather Data
Gather chemical data, convert PDF to SMILES, summarize and interact with articles.
- Database Access: Query ChEMBL, BindingDB, PDB, and other chemical databases directly
- PDF Extraction: Extract molecular structures and data from scientific papers
- Data Enrichment: Automatically annotate and enrich your compound libraries
Balto Research Mode
Actionable scientific artifacts in one click. Balto doesn't just answer questions — it produces reusable outputs that plug directly into downstream modeling and decision-making.
Actionable Artifacts, Not Summaries
Unlike general AI research modes that summarize papers in prose, Balto returns compound tables, structured data (CSV), linked sources, and molecule representations — ready to manipulate, visualize, and feed into docking, property prediction, and pocket analysis.
Drug-Discovery-Native
Purpose-built for chemistry and biology, with domain-specific databases and molecular representations. Not a general-purpose AI that happens to read papers — a tool that understands compounds, targets, and assays natively.
Pay-Per-Use, No Lock-In
Access advanced discovery tools without committing to expensive annual licenses. Start, stop, and explore on your terms — especially valuable for resource-constrained teams that need flexibility.
Balto makes small molecule work accessible. That includes pricing.
Core tools are free, and most premium tools include a monthly free allotment — pay only for the extra usage you need. No annual licenses, no lock-in.
| Feature | Included Monthly | Additional Usage |
|---|---|---|
| Monthly Subscription | Free | — |
| Core Tools | Free | — |
| Premium Tools | ||
| Docking | 30 free dockings | $0.20 per molecule for extra dockings |
| Pocket Finder | 2 free pocket analyses | $10 per protein for extra actions |
| PDF Analysis | 50 free pages | $0.10 per page for extra pages |
| Solubility (LogS) | 30 free predictions | $0.02 per prediction for extra predictions |
| Lipophilicity (LogP) | 30 free predictions | $0.02 per prediction for extra predictions |
| Distribution (LogD) | 30 free predictions | $0.02 per prediction for extra predictions |
| hERG inhibition | 30 free predictions | $0.02 per prediction for extra predictions |
| DO Molecular Properties | 30 free predictions | $0.14 per prediction for extra predictions |
| Ligand Protonation | 30 free predictions | $0.02 per prediction for extra predictions |
| FEP | No monthly free predictions | Variable cost per prediction |
| System Prep | Unlimited free predictions | — |
| Deep Research Mode | 5 free deep research | $5 per deep research |
| CYP binding | 30 free predictions | $0.02 per prediction for extra predictions |
| Ames mutagenicity | 30 free predictions | $0.02 per prediction for extra predictions |
Looking for academic pricing? Contact us for special rates.
An AI Assistant is only as good as its tools
Enrichment in top 1% of returned hits
Enrichment Factor at 1% (EF1%) on DEKOIS 2.0
LogP Prediction (RMSE)
| Rank | Method | RMSE |
|---|---|---|
| 1 | OCHEM | 0.34 |
| 2 | Deep Origin | 0.449 |
| 3 | DNN (taut) | 0.47 |
| 4 | DNN (mono) | 0.5 |
| 5 | ACD/GALAS | 0.5 |
| 6 | ALOGPS | 0.5 |
| 7 | KOWWIN | 0.65 |
| 8 | JChem | 0.72 |
Ulrich N., Goss K. U., Ebert A. Communications Chemistry. 2021. Vol. 4(1). P. 90.
LogD Prediction (MAE)
| Rank | Method | MAE |
|---|---|---|
| 1 | Deep Origin | 0.425 |
| 2 | Chemprop - RDKit | 0.466 |
| 3 | Chemprop | 0.469 |
| 4 | BaseBoosting | 0.479 |
| 5 | ContextPred | 0.535 |
| 6 | GCN | 0.541 |
| 7 | AttrMasking | 0.547 |
| 8 | NeuralFP | 0.563 |
| 9 | AttentiveFP | 0.572 |
TDC.Lipophilicity_AstraZeneca
LogS Prediction (MAE)
| Rank | Method | MAE |
|---|---|---|
| 1 | Deep Origin | 0.525 |
| 2 | Chemprop-RDKit | 0.762 |
| 3 | AttentiveFP | 0.776 |
| 4 | Chemprop | 0.818 |
| 5 | RDKit2D + MLP | 0.827 |
| 6 | Basic ML | 0.828 |
| 7 | GCN | 0.907 |
| 8 | NeuralFP | 0.947 |
| 9 | CNN (DeepPurpose) | 1.023 |
TDC.Solubility_AqSolDB
Frequently Asked Questions
What algorithms does Balto use for molecular modeling?
Balto uses Deep Origin's proprietary algorithms for docking, properties predictions and finding novel pockets. Balto also relies on a few open-source tools and databases such as MolStar, PDB and ChEMBL.
How do you deal with hallucinations?
Although Balto hallucinations are very rare, it is advisable to verify the information that Balto provides.
What is included in the free trial?
Free trial includes 50 credits. These many credits are enough to: Dock and find poses for up to 410 molecules, Predict up to 910 molecular properties, Find novel pockets for up to 10 proteins, Analyze up to 305 pages of PDF documents. You can also explore countless free actions such as: Pose overlays and protein visualizations, Querying of integrated public databases.
Ready to accelerate your drug discovery?
Join thousands of researchers using Balto to streamline their workflows.