DISQOVER for chemistry and early drug discovery

Save time, money, and other resources while getting all the information you need to make the right decision: here's how DISQOVER's holistic search capabilities boost the efficiency of early drug discovery.

Challenges of early drug discovery

In early drug discovery, researchers need to access all available and relevant information about compounds. In this way, they can identify if similar compounds have already been tested and whether toxicities, adverse effects, etc. have been reported. However, accessing and analyzing all the required information across databases and data silos is difficult, time-intensive, and costly. Even more, there is a significant risk of overlooking important pieces of information, which could lead to decisions based on flawed or incomplete knowledge.

This is where a data-driven approach comes in: instead of manually checking if something has been reported before, the data scientist can use machine learning to automatically detect whether a specific adverse effect has been reported previously. This is possible because databases and other sources of information contain certain patterns that can be used by the machine learning algorithm as features.

A scientist could then train a machine learning algorithm on these patterns and let it identify the relevant features automatically. The trained algorithms can be applied to new datasets, allowing scientists to detect relevant features more quickly than ever before. This reduces the time scientists need to spend on manual analyses while increasing their productivity and making them more efficient in their work. The efficiency gains here are huge!

A touch of DISQOVER

DISQOVER brings together fragmented sources of information and organizes them into a holistic, easily searchable system. The platform’s intuitive interface and easily navigable visualizations make it easier to find every piece of relevant knowledge needed to advance your project. Through integrations with third-party chemistry plug-ins such as Chemaxon, ChemDraw, and Chemantics, DISQOVER allows chemists and researchers to combine chemical structure and property searches, creating a truly holistic research solution.

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Advantages of DISQOVER for chemistry research


Easy-to-use search engine

Search all relevant databases for compound properties, tests, and other relevant information with one easy-to-use search engine.



Third-party chemistry plug-ins

Combine chemical structure and property search capabilities through DISQOVER’s seamless integration with third-party chemistry plug-ins.

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Data-driven decision

Make better decisions by identifying every possible piece of relevant information, thanks to DISQOVER’s powerful semantic search technology.


Boost your research

Accelerate the research process and get a significant head start over competitors in the drug development race.

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DISQOVER Community Edition

Go hands-on with the DISQOVER Community Edition to search, explore and visualize data from a variety of public sources for free, or get in touch with our team to schedule a personalized demo.

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