Work with molecular data
Resolve common chemical identifiers, retrieve PubChem and ChEMBL records, and calculate selected molecular properties with tools such as RDKit.
ALTAI PRODUCT / ChemAgent
Molecules, sources and calculations in one research workflow.
ChemAgent is ALTAI’s AI product for chemistry and scientific analysis. It connects a chemistry-focused model to scientific data sources and calculation tools. We adapt it to your team’s molecule review, literature research and data analysis tasks.
Discuss your scientific workflowDomain-specific AI product for chemistry HOW IT WORKSILLUSTRATIVE EXAMPLE
01/ 03
A molecular dataset
A researcher supplies a molecule list and chooses the properties to examine.
- Source
- molecules.csv
- Fields
- compound_id · SMILES
- Task
- Calculate selected descriptors
Inputs and outputs remain available for review
Workflow illustration; no calculation is running.
01 / THE PRODUCTCHEMAGENT
ChemAgent is a product of our domain-specific model and agent development work. Chemistry knowledge, scientific sources and calculation tools work together in one research workflow; results require expert review and laboratory validation where needed.
Search scientific sources
Search sources such as PubMed, OpenAlex and Europe PMC, then present the publications and available reference details for review.
Run calculations and data analysis
Use Python, Pandas and DuckDB-based tools for chemical calculations, queries over CSV and JSONL data, and statistical analysis.
02 / WHERE IT FITSTEAMS & TASKS
A place in
your team’s work.
Examples to scope around your data, operating requirements, and the people reviewing the result.
Chemistry R&D
Collect a compound's identifiers, selected properties and scientific database records.
Prepare a preliminary review with sources for a researcher to check.
Scientific information teams
Search supported sources for publications relevant to a focused research question.
Reduce source gathering work and keep the publications behind a synthesis visible.
Quality and process analytics
Examine production data and run agreed statistical calculations.
Prepare a repeatable analysis and draft report for expert assessment.
03 / BUILT AROUND YOUR ENVIRONMENT
Make it work
with your systems.
ALTAI connects your datasets and develops the scientific tools, calculation steps and reporting interface the task needs. We scope the work around a research or analysis task and evaluate results against examples reviewed by your team. Outputs receive expert review before scientific decisions; any necessary laboratory validation is performed separately.
Explore custom developmentWHAT WE EVALUATE
01Calculation and unit correctness on reviewed examples
02Source relevance and search coverage
03Expert correction time per analysis
Criteria are agreed for the intended task and environment.WORK WITH ALTAI
Discuss your scientific workflow
Tell us about the task, the data, and the systems involved. We’ll work out the right scope with your team.
Discuss your scientific workflow