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Organize chemistry and biology data Securely at Scale with Ease.



A Modern Platform to Manage Chemistry Drug Discovery Data. Stereochemistry compliant, providing user-friendly interfaces, de-duplication, and powerful bulk editing tools.

No matter the size or complexity of your data, Adroit DI has the agility and scalability to organize it all in one place securely.


Securely Manage All Your Data Modalities: Traditional small molecules. DNA-encoded libraries. Emerging modalities like oligonucleotides.

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<h2>Structure Data file</h2>

SCHEMA: Custom solutions for you to deliver data to your customers.

REPOSITORY: Ready to use access to the Adroit DI platform.
DATAVAULT: Structure your organization's chemistry data to support AI and collaboration.
Data Management

- Maintain accurate stereochemistry
- Combine disparate data sources with ease
- Deduplicate and federate on Molecular Structure
- Manage 100's millions of records
- Import standard formats like SDF, SMILES, SMARTS, MOL
- Export in SDF, CSV and Excel
- Bulk edit attributes and structures
- Cut, copy and paste functionality
- Merge hits from multiple searches into a new file in one click
- Search across all your data sets at once
- Manage multiple data files all at once through a single interface







Platform Features
- Search chemistry and properties, millions in seconds
- Merge and deduplicate by Structure
- Intuitive, modern interface
- Search by substructure and exact match
- Similarity search using Tanimoto, Tversky, and Euclid-cub coefficients
- Set up filters by attribute values
- Use a null search to refine search results further.
- Draw or upload a structure to filter any data set by Structure

Searching & Analysis
Collaboration & Security
- Multi-user access from individual to enterprise levels
- Excel-like interface for exploration and editing
- Highest security and control of sensitive data
- 5-factor authentication

Platform Features
- Deployment in the cloud or on-premise
- Unmatched agility, scalability and customization
- User-centric, future-proof technology stack
- Secure architecture with always-supported code
- Architected for easy scientific data management
- Integrate internal and external data via API
- Python/Flask/Indigo RESTful web services

Platform Architecture
Performance
- Fast indexing of >5k structures/second
- Serverless and schemaless design for scalability
- 1-hour deployment via containerized cloud services

Platform Features
AromaticCarbocycleCount
AromaticHeterocycleCount
AromaticRingCount
AtomCount
AtomStereoCenterCount
ExactMW
HBACount
HBDCount
HeavyAtomsCount
HeteroatomCount
InChi
InChiKey
LipinskiHBA
LipinskiHBD
LOGP
MolFormula
RingCount
RotatableBondCount
SMARTS
SMILES canonical
SMILES isomeric
TPSA
UnspecifiedAtomStereoCount

24 Calculated Properties
Properties calculated easily
Personalization
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