GOSTAR Small Molecules

GOSTAR™ Small Molecules, developed by Excelra, is a structure-activity relationship (SAR) database designed to support pharmaceutical drug discovery research. It contains data on over 10.6 million chemical structures, 35 million bioactivities, and 79,000 biological targets, all manually curated and standardized through a three-tiered quality control process certified to QMS-ISO-9001:2015. The database is used by nearly 15 of the top 20 pharmaceutical companies as part of their drug discovery workflows.

The database covers small molecule biological activities, physico-chemical properties, ADME, toxicology, affinity, and pharmacological data. Source material includes over 120,000 abstracts and conference records, data from 78,000 companies and institutes, and content drawn from more than 4 million screened patents. All data points are fully referenced, allowing users to trace findings back to their original sources.

Database Scale and Coverage

• Over 10.6 million chemical structures
• 35 million SAR data points
• 79,000+ biological targets
• 120,000+ abstracts and conference records
• 78,000+ companies and institutes represented
• 4 million+ patents screened

Data Quality and Curation

• Fully manually curated by medicinal chemists
• Three-tiered quality control process certified to QMS-ISO-9001:2015
• Custom curation option available with a four-tiered QC process for additional accuracy
• All data points are fully referenced and traceable to source
• Data is harmonized and standardized prior to delivery, minimizing downstream processing requirements

Capabilities for AI, Informaticians, and Data Scientists

• Full database export available as a single file containing all 35 million rows
• Supported formats include flat files, hierarchical files, semantic format, Oracle databases, and MySQL databases
• API access available for programmatic data retrieval
• Data is cleaned and standardized to be directly importable with minimal additional processing
• Suitable for training AI/ML models, building algorithms, and generating AI training sets

Capabilities for Medicinal Chemists

• Search and filter across 10.6 million compounds to identify relevant subsets
• User-friendly graphical interface for interrogating chemical space
• Harmonized datasets curated specifically for pharmaceutical design and discovery
• SAR tool included for structure-activity analysis
• Flexible export options for findings

Capabilities for Drug Development Executives and Strategic Professionals

• Access to data extracted from over 4 million patents for patent landscape analysis
• Fully referenced database allows direct access to source documents
• Database updated frequently; special curation available with under 48-hour turnaround from publication of a new source
• Supports competitive intelligence and monitoring of pharmaceutical areas of interest

Data Access Options

• Bulk download: flat file or web API, full database or any subset, periodic or on-demand updates
• Graphical interface: intuitive search, segmented data analysis, SAR tool, report generation, and flexible export options
• Custom curation: covers any publicly available data, uses the GOSTAR™ data model, applies a four-tiered QC process, and delivers new data with under 48-hour turnaround

Data Types Covered

• Biological activity and affinity data
• ADME parameters
• Toxicology data
• Physico-chemical properties
• Structure-activity relationship (SAR) data
• Pharmacological and therapeutic information

GOSTAR™ Small Molecules is available through a graphical web interface, bulk data download, and API. The underlying data model supports integration into client platforms for AI/ML model building, activity and property prediction, hit identification, and lead optimization. Custom curation services allow organizations to request targeted data extraction with rapid delivery timelines.