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Organize chemistry and biology data securely at scale with ease.
<h2>Dotmatics</h2> <h2>ChemAxon</h2> <h2>DataWarrior</h2> <h2>Schrodinger</h2> <h2>BioVia</h2> <h2>Chemdraw</h2> <h2>Vortex</h2><h2>SDF</h2>
<h2>Structure Data file</h2>
Breaking News! "REPOSITORY Editor now available on scientist.com
REPOSITORY: just $10/user/month to manage 50,000 structures. Get all the powerful features – including structure searching, merging, and. Unlock the power of REPOSITORY and replace your spreadsheet with a research platform!"
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.
Registration as a Service (RaaS)
DATAVAULT: Structure your organization's chemistry data to support AI and collaboration.
SCHEMA: Custom solutions for you to deliver data to your customers.
REPOSITORY: Ready to use access to the Adroit DI platform.
REGISTRATION as a Service: Future data proof secure end-to-end system.
Platform Versions
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
- 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
- Future proof your registration for all modalities
- All your business rules data in one place
- Secure global access to your business rules and data
- Organizing all your data for AI-based data analysis
- All your business rules data in one place
- Secure global access to your business rules and data
- Organizing all your data for AI-based data analysis
Registration as a Service RaaS
- 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
- 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
- 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
- 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
- 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
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
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