AI‑Powered Drug Discovery & Development

From data to designed medicines, faster and preciser.

MolAIcule is an integrated AI–Biology–Chemistry (ABC) company advancing precision therapeutics. We engineer models that learn from multi‑omics, structural, and real‑world data to design higher‑quality candidates and de‑risk R&D decisions.

Explore Pipeline Our Platform
AI × Biology × Chemistry
Integrated ABC platform
Oncology and Neurology Focus
Initial indications prioritized
MolAIcule mark

The ABC Platform

We fuse generative and predictive AI with wet‑lab workflows to: select targets, design molecules, score liabilities, and guide make–test–learn cycles. Outputs include ranked designs, risk maps, and experimentation plans.

  • Structure‑aware design of biologics & small molecules
  • ADME/Tox and developability prediction
  • Automated similarity & by‑stander effect screening
  • Translational modeling for indication & strategy

What we build

Modern models, pragmatic science, measurable acceleration.

Discovery Engine

Target & modality selection

Cross‑link biology knowledge graphs with structural and omics data to prioritize targets and choose the right modality (biologics, peptides, conjugates, or small molecules).

Design Studio

De novo & guided design

Generate, dock, and refine candidates with multi‑objective scoring: potency, selectivity, stability, immunogenicity, and developability.

Translational Loop

Make–test–learn

Closed‑loop learning from assays and in vivo data to optimize candidates and reduce cycle time from hit to preclinical candidate.