Kantify & Mcule harness data to accelerate drug discovery

Kantify, using its AI technology for drug discovery and Mcule,with its compound sourcing platform, are collaborating to leverage data for better hit prediction

Drug discovery is a complex process. There is a wide search space, a high risk of failure and high costs. Until now, having the ability to identify and test promising ligands within a short period of time has been very challenging: inefficient hits, unsafe hits, unavailable compounds… many difficulties which can make the drug discovery processes slow and expensive. To tackle these difficulties, Kantify and Mcule work together to optimize the small molecule ligand identification process.


Kantify is a startup which has developed a novel drug discovery technology powered by Artificial Intelligence, called Zeptomics. Zeptomics can perform target identification, hit prediction, ADMET prediction, and off-target effects prediction in a record time. Zeptomics is disease agnostic and is being used by drug hunters to accelerate and de-risk their drug discovery process. Zeptomics is able to identify, in silico, promising ligands, even for novel targets. Zeptomics is used both for the discovery of new molecular entities and repurposable drugs.


Mcule operates integrated small molecule chemical marketplaces for drug discovery. Mcule offers databases of 100 million compounds, including aggregated supplier catalogs and a novel, synthetically accessible virtual database called Mcule ULTIMATE developed in-house. Mcule also developed a unique platform, Mcule SynthAgora, to facilitate custom synthesis projects. With the synergy of the in-stock database, virtual database and custom synthesis platform supported by compound management services, Mcule aims to abolish chemistry limitations in drug discovery.

How both technologies accelerate the identification of promising ligands

In its hit prediction projects, Kantify is able to perform hit selection based not only on the efficiency of a molecule but also on the risk profile in terms of toxicity (ADMET and off-target effects). This can be done for any target, with very limited input data needed. Zeptomics’ performance in terms of speed and hit rate makes it a leading tool for the identification of repurposable drugs or novel ligands. Kantify uses the Mcule databases to ensure that the pre-selected compounds are easily synthesizable and sourceable. Subsequently the compounds can be ordered via the Mcule platform to be screened in the lab. Screening is usually performed in the labs of Kantify’s research partners or clients.

With the combination of Kantify’s AI drug discovery tool, Zeptomics, and Mcule databases and sourcing solution, it is now possible to screen, in a reduced timeframe, a search space of millions of compounds. Combined together, both technologies make the drug discovery process faster and more efficient.

You can learn more by contacting

  • Kantify at hello [@] - Or through the below form
  • Mcule at info [@] - Website

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