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drug design

Amorphous Solid Dispersions (ASD)

we combine high-throughput Quantum Molecular Dynamics constrained by Electron Diffraction to optimize the design of drugs dosed in the form of ASDs

At the forefront of small molecule drug discovery

WE ARE THE FIRST COMPANY TO AUTOMATE DRUG DESIGN, SURPASSING CONVENTIONAL HUMAN ENDEAVOUR.

AI

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

BIG DATA

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.

EXPERIMENT

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.

EFFICIENCY

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.

flagship initiative

Quantum Immunology

we address how quantum mechanics may be applied to the therapy of infectious diseases, immune disorders, neurological conditions and aging

Bispecific Small Molecules

SINGLE COMPOUNDS THAT INDEPENDENTLY BIND TWO DISTINCT TARGETS.

THERAPEUTIC NEED

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 polypharmacologyis more frequent than previously anticipated.

OPPORTUNITY

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.

PRIORITISATION

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.

drug design

Organic polymorphs

we apply inverse modelling, Electron Energy Loss Spectroscopy (EELS) and first-principles to detect new pharmaceutical polymorphs