Drug Discovery Database - Medicinal Chemistry, ADMET & Biology Data

About GOSTAR

The Largest Manually Curated SAR Database

You need three things of your data: you need it to be as comprehensive as possible, you need to be able to trust it, and you need to be able to use it. From the beginning, GOSTAR has been designed to provide you with that breadth, confidence, and utility. With over 9.15 million small molecule structures, 31 million bioactivities, and surpassing 82,298 targets, GOSTAR provides the coverage of the medicinal chemical space necessary to both understand what came before you, and allow you to plan what comes next. Being fully manually curated and subject to a three-tiered quality control process certified by QMS-ISO standards, you can feel assured that the data has integrity. With next-generation visualization and analysis features designed specifically for medicinal chemists, straightforward exports in formats you actually use, a powerful query builder, and an instinctive user interface, GOSTAR ensures you can find the data you need quickly, work with it easily, and move on to the next stage of your soon-to-be-discovered breakthrough.

GOSTAR Database by the Numbers

9.15M

Chemical
Structures

1.78M

Scaffold

46K

Clinical

5.68K

Drugs

1.76M

ADMET

82K

Targets

25K

End Points

9.15M

Chemical Structures

1.78M

Scaffold

46K

Clinical

5.68K

Drugs

1.76M

ADMET

82K

Targets

25K

End Points

A Truly FOCUSED SAR Database

GOSTAR is not a chemistry database. It is specifically a structure-activity relationship database. The ontologies, format, information, tools, interface, exports, and every other aspect are all meant to help you find and use activity, affinity, ADME, toxicology, physiochemical, and other data relevant to pharmaceutical design and discovery. In it, you’ll find tools that other databases wouldn’t even think to include, like molecular pair analysis and LE vs. LLE plots.

We, Excelra, are medicinal chemists. That will become clear once you try GOSTAR.

Powering an Array of Versatile Applications

Exploration of chemical & biological space for given target

Virtual screening

Hit identification,
Lead optimization

Design and validation of predictive models (QSAR, AI/ML, Pharmacophore)

Drug repurposing, Polypharmacology

Competitive Intelligence & Novelty analysis

Wide range of data access/export options

GOSTAR offers meticulously curated structure-activity relationships (SAR) data on molecular compounds and drugs to their targets while capturing relevant activities and assays. Drawing from diverse scientific resources like research articles and patents, streamlining data availability for pharma and healthcare companies, accelerating the drug discovery journey.

GOSTAR customers can conveniently export or download the data they have accessed through GOSTAR WebAPI services. This enables them to generate custom reports, perform data analysis, or integrate the exported data into their own reporting tools. Below are the formats supported in GOSTAR WebAPI.

CSV

TSV

SDF

XML

JSON

Proprietary QMS-ISO certified curation process powered by NLP and human intelligence

Other databases do not use automated data harvesting because it is better; they do it because it is cheaper. When faced with a tradeoff between cost and data quality, we chose data quality. Our huge team of scientific experts curate, excerpt, enhance, and enrich every data point from many different types of sources into a relational data format. Content is subjected to a three-tiered quality control analysis followed by standardization and normalization processes before being added to the user system.

We’ve mastered the art of being both rigorous and expedient, with new information being captured and added within just weeks of publication, ensuring you have an up-to-date view of the chemical space at all times.