Gather data and model protein binding with a world-class docking algorithm in a AI-guided conversation.

Meet the most accessible drug discovery toolkit

Try Balto risk free. Upgrade to scale up PDF to SMILES extraction, docking, and pocket finding campaigns. No minimum commitment. Only pay for what you use.

Try Balto for Free

basic

Our life science-aware AI assistant. World-class docking in a conversation.

$32 / month*

What you will get

Molecular modeling and drug discovery assistant

Benchmark-topping docking and pocket-finding tools

3 organization seats

Coming Soon

Retrosynthetic AI

Molecular dynamics

* Per seat, only pay for what you use. $1USD = 1 credit.

professional

Additional docking and FEP access for your whole organization.

Coming soon

What you will get

Everything in Balto Basic

Increased batch sizes for benchmark-topping docking

20 organization seats

Coming Soon

Everything in Balto Basic

Free energy perturbation (FEP)

Enterprise

Ultra large virtual screening, generative AI for molecules, our whole toolkit via AI assistant.

Coming soon

What you will get

Everything in Balto Professional

Unlimited organization seats

Discounted credits

Coming Soon

Everything in Balto Professional

Generative AI for molecules

Ultra-large virtual screening

Protip - Get the most out of your trial

Your one-month free trial gives you enough credits to try out all of Balto's core tools.

Get started

Use your 50 credits to do the following:
 
  • Predict 100 molecular properties
  • Perform 40 dockings
  • Analyze 4 publication-length PDFs
  • Enact a pocket finding campaign

An AI Assistant is only as good as its tools

Benchmarked on the PDBBind 285 set (1)
Benchmarked on DEKOIS 2.0 (2)

ref. 1. https://pubs.acs.org/doi/10.1021/acs.jcim.8b00545, benchmark data available at http://www.pdbbind.org.cn/index.php, used for comparability with prior results
2. https://www.pharmchem.uni-tuebingen.de/dekois/, "DEKOIS 2.0: Demanding Evaluation Kits for Objective In silico Screening"

Cheminformatics benchmarks

logP
Rank
Model
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
logD
Rank
Model
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
logS
Rank
Model
MAE
1
Deep Origin
0.525
2
Chemprop-RDKit
0.762
3
AttentiveFP
0.776
4
Chemprop
0.818
5
RDKit2D + MLP (DeepPurpose)
0.827
6
Basic ML
0.828
7
GCN
0.907
8
NeuralFP
0.947
9
CNN (DeepPurpose)
1.023

ref. 1. TDC.Solubility_AqSolDB 
2. Ulrich N., Goss K. U., Ebert A. Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation // Communications Chemistry. – 2021. – Т. 4. – №. 1. – С. 90.
3. TDC.Lipophilicity_AstraZeneca

FAQ

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

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