Overview

Algorithm → Lab → Clinic — One Seamless Pipeline

Our end-to-end workflow turns raw target data into Phase-3–ready assets. Proprietary AI finds the hits, our labs optimise and de-risk them, and a dedicated clinical unit drives the best candidates through trials—compressing timelines and cost.

Algorithmic Lead Discovery

300 M-compound virtual screen delivers a ranked shortlist of hits in five days.

Lab Optimisation & Safety

Medicinal chemistry and full toxicology panels refine potency and minimise risk before IND.

Pre-clinical Proof

In-vivo efficacy and dosing studies build the data package for regulatory submission

Clinical Trials & Validation

A dedicated team advances top candidates through Phase 1-2, accelerating approval.

01. Target Identification

Use of atomic-level Biological Target Information

With access to advanced instrumentation and data analytics, our laboratory stays at the forefront of scientific progress. Our research solutions are as innovative as they are accurate - designed to keep you ahead

Proteins

Amino acid sequence, 3D structure, physico-chemical properties of binding sites

Nucleic acids

Nucleotide sequence, 3D structure, genetic context (regulatory, coding, non-coding etc.)

02. Target Abstraction

Abstraction of Target - Ligand interaction

With access to advanced instrumentation and data analytics, our laboratory stays at the forefront of scientific progress. Our research solutions are as innovative as they are accurate - designed to keep you ahead

Modelling

Standardised mathematical description

Feature extraction

Unique, structure-invariant 3D fingerprint

03. Analysis

Analysis of 3D fingerprints

Chemical space with 300 million+ theoretical and existing compounds (small molecules)

04. Clinical Trial

Clinical trial development

In collaboration with ABX-CRO advanced pharmaceutical services Forschungsgesellschaft, Germany.

Pre-clinical

In-vivo efficacy, PK/PD, and full GLP toxicology studies generate an IND-ready data package.

Clinical phase 1-2

First-in-human safety & PK (Phase 1) followed by proof-of-concept efficacy and dose-optimisation (Phase 2) in multi-centre trials run with ABX-CRO.

Benchmarking

Performance Benchmarking

Outperforming competitive in silico methodologies quantitatively (hit rate) and qualitatively (affinity) by a Factor of 10x

Partner network

Collaboration partners

PharmAI Discovery and its daughter company PharmAI has successful collaboration projects with more than 20 prominent actors within the field.