About Contact Us Careers

AI in Computer Aided Synthesis Planning Market Analysis

  • Report ID: 3809
  • Published Date: Oct 10, 2025
  • Report Format: PDF, PPT

AI in Computer Aided Synthesis Planning Market Segmentation:

Component Segment Analysis

The software dominates the segment and is poised to hold the share value of 65.5% by 2035. The segment is driven by critical role of proprietary AI platforms and algorithms that form the core intellectual property for computer-aided synthesis planning. The NLM study in August 2025 depicts that the AI software platforms such as DeepChem, RDKit, and OpenEye (open-source and commercial) have democratized access to AI capabilities in drug discovery, enabling researchers to model molecular interactions, optimize drug candidates, and predict ADMET properties efficiently. Further, demand for licensed, scalable software solutions from pharmaceutical and biotechnology companies surges software segment's leading position.

Application Segment Analysis

The small molecule drug discovery in the AI in computer aided synthesis planning market is the most significant application, fueled by the strong demand for new therapeutics and AI capabilities to considerably lower development timelines. According to the NLM study in August 2025, the conventional drug discovery timeline is 10 to 15 years and cost over USD 2.6 billion per drug can be reduced by 30% to 50% in phases involving AI application, especially preclinical discovery. The European Medicines Agency supports the qualification of novel methodologies, including AI tools, for drug development, providing a regulatory pathway for their use. Further, the Association of the British Pharmaceutical Industry indicates that numerous companies are spending on AI to strengthen small-molecule R&D pipelines.

End user Segment Analysis

Pharmaceutical and biotechnology companies lead end-user segment and is expected to hold a considerable share by 2035. The segment is driven due to immense pressure to improve R&D productivity. The German Federal Ministry of Education and Research funds consortia like the Pharmaceutical Initiative which explicitly promotes AI integration for synthesis. Government initiatives like the Life Sciences Vision in the UK require the use of AI to preserve competitive edge, allocating large sums of money to industry adoption.

Our in-depth analysis of the global AI in computer aided synthesis planning market includes the following segments:

Segment

Subsegments

Technology
  • Machine Learning
  • Deep Learning
  • Natural Language Processing
  • Other Technologies

Application
  • Small Molecule Drug Discovery
  • Machine Learning
  • Deep Learning
  • Natural Language Processing
  • Other Technologies
  • Peptide & Oligonucleotide Synthesis
  • Machine Learning
  • Deep Learning
  • Natural Language Processing
  • Other Technologies
  • Material Science
  • Machine Learning
  • Deep Learning
  • Other Technologies
  • Other Applications
  • Machine Learning
  • Deep Learning
  • Natural Language Processing
  • Other Technologies

End user
  • Pharmaceutical & Biotechnology Companies
  • Cloud-based
  • On-premise
  • Academic & Research Institutions
  • Cloud-based
  • On-premise
  • Contract Research Organizations (CROs)
  • Cloud-based
  • On-premise

Deployment Mode
  • Cloud-based
  • On-premise

Component
  • Software
  • Services

Browse key industry insights with market data tables & charts from the report:

Frequently Asked Questions (FAQ)

Currently in 2025, the industry revenue of AI in computer aided synthesis planning is evaluated at USD 3.1 billion.

The global AI in computer aided synthesis planning market size was valued at USD 3.1 billion in 2025 and is projected to reach USD 82.2 billion by the end of 2035, rising at a CAGR of 38.8% during the forecast period, i.e., 2026-2035.

The major players in the market include Schrödinger Inc., BIOVIA (Dassault Systèmes), Synple Chem, ChemPlanner (Elsevier), Chematica (Merck KGaA), DeepMatter Ltd., Benchling, Synthace, AiCure / Covance, MolPort AI, Lonza, Molecule.one, BioSolveIT, ChemAxon, Menten AI, HitGen, Cloud Pharmaceuticals, Synple Chem Australia, SK Biopharmaceuticals AI Lab, Bioneutra AI Labs

Based on the component, the solutions segment is anticipated to garner the largest share of 70.8% by the end of 2035.

North America in the mobile user authentication market is projected to account for the largest share of 35.2% by the end of 2035.
Inquiry Before Buying Request Free Sample PDF

Copyright @ 2026 Research Nester. All Rights Reserved.

footer-bottom-logos