Chemoinformatics Market: By Application (Drug Discovery, Chemical Analysis, and QSAR), By Tool (Chemical Databases, Molecular Modeling Software, and QSAR Software), By End User (Pharmaceutical & Biotechnology Companies, Academic & Research Institutes, and Others), and Geography

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Chemoinformatics Market size was valued at USD 5,921.3 million in 2023 and is expected to grow at a compound annual growth rate (CAGR) of 16.3% from 2024 to 2030. Chemoinformatics represents a multidisciplinary field that combines chemistry, biology, and computer science to streamline drug discovery and chemical analysis processes. This market encompasses various tools and technologies essential for storing, processing, and analyzing chemical and biological data, including chemical databases, molecular modeling software, and quantitative structure-activity relationship (QSAR) tools.

The chemoinformatics market serves a diverse range of applications, from early-stage drug discovery to materials science and environmental research. The growth of the chemoinformatics market is driven by factors such as the increasing demand for efficient drug discovery processes, advancements in artificial intelligence and machine learning, and the rising adoption of in silico methods in research. For instance, according to a report by the Tufts Center for the Study of Drug Development, the use of AI in drug discovery can potentially reduce early drug discovery timelines by 3-5 years and cut costs by 30-50%. Moreover, the COVID-19 pandemic has accelerated the adoption of computational methods in drug research, further boosting market expansion. However, challenges such as data standardization issues, the need for skilled professionals, and concerns about data security may impact market growth to some extent.

Chemoinformatics Market Key Developments:
  • In February 2022, Agilent Technologies Inc. acquired powerful artificial intelligence (AI) technology developed by Virtual Control. This AI and machine learning software provider creates unique analytical solutions in lab testing. Agilent will incorporate the ACIES software into its industry-leading gas chromatography and mass spectrometry (GS/MS) equipment to improve productivity, efficiency, and accuracy.
  • In October 2023, Cadence Molecular Sciences (OpenEye) made an agreement with Pfizer Inc. to extend and expand access to Cadence products and programming toolkits for advanced molecular design. Cadence Molecular Sciences’ physics-and AI-based modelling and cheminformatics computational software is an enabler of early-stage drug discovery innovation.

Chemoinformatics Market Summary

Study Period

2024-2030

Base Year

2023

CAGR

16.3%

Largest Market

North-America

Fastest Growing Market

Asia-Pacific

Chemoinformatics Market Dynamics

The increasing pressure to reduce drug discovery timelines and costs, coupled with the growing complexity of target diseases, has intensified the demand for advanced computational tools in chemistry and biology. Chemoinformatics offers several advantages over traditional methods, including rapid virtual screening of large compound libraries, prediction of drug-like properties, and optimization of lead compounds. These factors contribute to the expanding adoption of chemoinformatics tools across the pharmaceutical and biotechnology industries.

Furthermore, technological advancements in artificial intelligence, machine learning, and quantum computing have enhanced the capabilities of chemoinformatics platforms. The development of improved algorithms for molecular docking, de novo drug design, and retrosynthesis prediction has addressed many historical challenges associated with computational chemistry. Additionally, the shift towards precision medicine and the emphasis on rational drug design have favored the growth of chemoinformatics approaches, particularly in target identification and lead optimization. This trend has been further accelerated by the success of AI-driven drug discovery projects, which have demonstrated the potential to significantly reduce the time and cost of bringing new drugs to market.

Chemoinformatics Market Segmentation

By Application

  • Drug Discovery
  • Chemical Analysis
  • QSAR (Quantitative Structure-Activity Relationship)

By Tool

  • Chemical Databases
  • Molecular Modeling Software
  • QSAR Software

By End User

  • Pharmaceutical & Biotechnology Companies
  • Academic & Research Institutes
  • Others

Frequently Asked Questions

Chemoinformatics Market size was valued at USD 5,921.3 million in 2023

The expansion of the chemoinformatics market is driven by the increasing demand for efficient drug discovery processes, advancements in AI and machine learning, rising adoption of in silico methods, and the growing complexity of target diseases.

Data standardization issues, the need for skilled professionals, and concerns about data security and intellectual property protection may hamper the global chemoinformatics market. The high cost of advanced software tools and the complexity of integrating chemoinformatics into existing workflows may also hinder market growth.Data standardization issues, the need for skilled professionals, and concerns about data security and intellectual property protection may hamper the global chemoinformatics market. The high cost of advanced software tools and the complexity of integrating chemoinformatics into existing workflows may also hinder market growth.

The leading players in the global chemoinformatics market include Schrödinger, Inc., Chemical Computing Group ULC, Certara, Inc., ChemAxon Ltd., Molecular Discovery Ltd., and others.

Key Features of the Report

  • The report provides granular level information about the market size, regional market share, historic market (2019-2023), and forecast (2024-2030).
  • The report covers in-detail insights about the competitor’s overview, company share analysis, key market developments, and their key strategies.
  • The report outlines drivers, restraints, unmet needs, and trends that are currently affecting the market.
  • The report tracks recent innovations, key developments, and start-up details that are actively working in the market.
  • The report provides a plethora of information about market entry strategies, regulatory framework, and reimbursement scenarios.
1.Executive Summary
2.Global Chemoinformatics Market Introduction 
2.1.Global Chemoinformatics Market  - Taxonomy
2.2.Global Chemoinformatics Market  - Definitions
2.2.1.Tool
2.2.2.Application
2.2.3.End-user
2.2.4.Region
3.Global Chemoinformatics Market Dynamics
3.1. Drivers
3.2. Restraints
3.3. Opportunities/Unmet Needs of the Market
3.4. Trends
3.5. Product Landscape
3.6. New Product Launches
3.7. Impact of COVID 19 on Market
4.Global Chemoinformatics Market Analysis, 2019 - 2023 and Forecast 2024 - 2030
4.1.  Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
4.2.  Year-Over-Year (Y-o-Y) Growth Analysis (%) 
4.3.  Market Opportunity Analysis 
5.Global Chemoinformatics Market  By Tool, 2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
5.1. Chemical Databases
5.1.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
5.1.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
5.1.3. Market Opportunity Analysis 
5.2. Molecular Modeling Software
5.2.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
5.2.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
5.2.3. Market Opportunity Analysis 
5.3. QSAR Software
5.3.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
5.3.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
5.3.3. Market Opportunity Analysis 
6.Global Chemoinformatics Market  By Application, 2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
6.1. Drug Discovery
6.1.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
6.1.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
6.1.3. Market Opportunity Analysis 
6.2. Chemical Analysis
6.2.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
6.2.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
6.2.3. Market Opportunity Analysis 
6.3. QSAR (Quantitative Structure-Activity Relationship)
6.3.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
6.3.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
6.3.3. Market Opportunity Analysis 
7.Global Chemoinformatics Market  By End-user, 2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
7.1. Pharmaceutical & Biotechnology Companies
7.1.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
7.1.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
7.1.3. Market Opportunity Analysis 
7.2. Academic & Research Institutes
7.2.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
7.2.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
7.2.3. Market Opportunity Analysis 
7.3. Others
7.3.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
7.3.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
7.3.3. Market Opportunity Analysis 
8.Global Chemoinformatics Market  By Region, 2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
8.1. North America
8.1.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
8.1.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
8.1.3. Market Opportunity Analysis 
8.2. Europe
8.2.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
8.2.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
8.2.3. Market Opportunity Analysis 
8.3. Asia Pacific (APAC)
8.3.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
8.3.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
8.3.3. Market Opportunity Analysis 
8.4. Middle East and Africa (MEA)
8.4.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
8.4.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
8.4.3. Market Opportunity Analysis 
8.5. Latin America
8.5.1. Market Analysis, 2019 - 2023 and Forecast, 2024 - 2030, (Sales Value USD Million)
8.5.2. Year-Over-Year (Y-o-Y) Growth Analysis (%) and Market Share Analysis (%) 
8.5.3. Market Opportunity Analysis 
9.North America Chemoinformatics Market ,2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
9.1. Tool Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
9.1.1.Chemical Databases
9.1.2.Molecular Modeling Software
9.1.3.QSAR Software
9.2.  Application Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
9.2.1.Drug Discovery
9.2.2.Chemical Analysis
9.2.3.QSAR (Quantitative Structure-Activity Relationship)
9.3.  End-user Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
9.3.1.Pharmaceutical & Biotechnology Companies
9.3.2.Academic & Research Institutes
9.3.3.Others
9.4.  Country Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
9.4.1.United States of America (USA)
9.4.2.Canada
10.Europe Chemoinformatics Market ,2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
10.1. Tool Analysis  and Forecast  by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
10.1.1.Chemical Databases
10.1.2.Molecular Modeling Software
10.1.3.QSAR Software
10.2.  Application Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
10.2.1.Drug Discovery
10.2.2.Chemical Analysis
10.2.3.QSAR (Quantitative Structure-Activity Relationship)
10.3.  End-user Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
10.3.1.Pharmaceutical & Biotechnology Companies
10.3.2.Academic & Research Institutes
10.3.3.Others
10.4.  Country Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
10.4.1.Germany
10.4.2.France
10.4.3.Italy
10.4.4.United Kingdom (UK)
10.4.5.Spain
11.Asia Pacific (APAC) Chemoinformatics Market ,2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
11.1. Tool Analysis  and Forecast  by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
11.1.1.Chemical Databases
11.1.2.Molecular Modeling Software
11.1.3.QSAR Software
11.2.  Application Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
11.2.1.Drug Discovery
11.2.2.Chemical Analysis
11.2.3.QSAR (Quantitative Structure-Activity Relationship)
11.3.  End-user Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
11.3.1.Pharmaceutical & Biotechnology Companies
11.3.2.Academic & Research Institutes
11.3.3.Others
11.4.  Country Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
11.4.1.China
11.4.2.India
11.4.3.Australia and New Zealand (ANZ)
11.4.4.Japan
11.4.5.Rest of APAC
12.Middle East and Africa (MEA) Chemoinformatics Market ,2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
12.1. Tool Analysis  and Forecast  by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
12.1.1.Chemical Databases
12.1.2.Molecular Modeling Software
12.1.3.QSAR Software
12.2.  Application Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
12.2.1.Drug Discovery
12.2.2.Chemical Analysis
12.2.3.QSAR (Quantitative Structure-Activity Relationship)
12.3.  End-user Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
12.3.1.Pharmaceutical & Biotechnology Companies
12.3.2.Academic & Research Institutes
12.3.3.Others
12.4.  Country Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
12.4.1.GCC Countries
12.4.2.South Africa
12.4.3.Rest of MEA
13.Latin America Chemoinformatics Market ,2019 - 2023 and Forecast 2024 - 2030 (Sales Value USD Million)
13.1. Tool Analysis  and Forecast  by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
13.1.1.Chemical Databases
13.1.2.Molecular Modeling Software
13.1.3.QSAR Software
13.2.  Application Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
13.2.1.Drug Discovery
13.2.2.Chemical Analysis
13.2.3.QSAR (Quantitative Structure-Activity Relationship)
13.3.  End-user Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
13.3.1.Pharmaceutical & Biotechnology Companies
13.3.2.Academic & Research Institutes
13.3.3.Others
13.4.  Country Analysis 2019 - 2023 and Forecast 2024 - 2030 by Sales Value USD Million, Y-o-Y Growth (%), and Market Share (%) 
13.4.1.Brazil
13.4.2.Mexico
13.4.3.Rest of LA
14. Competition Landscape
14.1.  Market Player Profiles (Introduction, Brand/Product Sales, Financial Analysis, Product Offerings, Key Developments, Collaborations, M & A, Strategies, and SWOT Analysis) 
14.2.1.Schrödinger, Inc.
14.2.2.Chemical Computing Group ULC
14.2.3.Certara, Inc.
14.2.4.ChemAxon Ltd.
14.2.5.Molecular Discovery Ltd.
14.2.6.OpenEye Scientific Software, Inc.
14.2.7.Dassault Systèmes
14.2.8.BIOVIA Corp.
14.2.9.Dotmatics Ltd.
14.2.10.Cresset BioMolecular Discovery Ltd.
15. Research Methodology 
16. Appendix and Abbreviations 
  • Schrödinger, Inc.
  • Chemical Computing Group ULC
  • Certara, Inc.
  • ChemAxon Ltd.
  • Molecular Discovery Ltd.
  • OpenEye Scientific Software, Inc.
  • Dassault Systèmes
  • BIOVIA Corp.
  • Dotmatics Ltd.
  • Cresset BioMolecular Discovery Ltd.

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