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At the forefront of small molecule drug discovery

We are the first company to automate drug design, SURPASSING conventional human endeavour. 


Our AI driven systems actively learn best practice from vast repositories of discovery data and are further enhanced with knowledge acquired from seasoned drug hunters. 


With better information to hand than any researcher could acquire individually, our knowledge-driven systems design millions of novel, project-specific compounds and pre-assess each for predicted potency, selectivity, ADME and other key criteria.



From this, a selection of the best, information-rich compounds are selected for synthesis and assay. 

With new experimental data generated, the results are integrated and the next design cycle initiated.



Rapid design-make-test cycles ensure unparalleled progress towards desired project goals.

Exscientia has already delivered exceptional productivity, generating candidates in roughly one-quarter of the time of traditional approaches.

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Selective Single Target Molecules

High Productivity Candidate Delivery.


Before any project is initiated, all data are assimilated to establish the opportunity for a target to bind a selective, well-balanced small molecule.


Novel chemistry can be initiated from a handful of high quality data points.

In cases where additional data are required, approaches including Surface Plasmon Resonance fragment screens can be performed.

Compound Design

Our systems then actively optimise the initial chemical designs. through a series of rapid design-make-test cycles.

These enable novel, well-balanced compounds with superior properties to be rapidly assessed and confirmed. 

Bispecific Small Molecules

single compounds that independently bind two distinct targets.


Most diseases are highly networked, so therapies often need to hit multiple nodes to have a sustainable effect.

Furthermore, many drugs have now been shown to hit more than one target, suggesting that this polypharmacology is more frequent than previously anticipated.


Exscientia have harnessed this knowledge to develop a system to design molecules that explicitly hit more than one target.

Seeded by experimental data for individual targets, our design process can assess the chemical tractability of any biologically relevant pairing. Only those target pairs appearing amenable are taken forward.


Bispecific designs are rapidly synthesised and tested to confirm the overall opportunity for each prioritised pairing.

Those displaying the potential to encode key chemistry into a single integrated pharmacophore, are taken forward to become active drug discovery projects.


Phenotypic Drug Design

High Productivity for Candidate Delivery.


To address drug discovery in areas of complex disease, where the target mechanisms are often unknown, Exscientia have extended their systems to design compounds directly against Phenotypic and High Content Screening data.


Exscientia are able to drive the design process, without any requirement to consider the underlying target profile, using high-dimensional phenotypic data


This allows drug discovery to be implemented even when the target landscape is not sufficiently understood, thereby accelerating new opportunities for treatment