全球化学资讯学市场：预测（2023-2028）

全球化学资讯学市场规模预计在预测期内将以 14.67% 的复合年增长率成长。

慢性病盛行率的上升以及相应的开发新治疗方法的需求是一些关键驱动因素。其他重要因素包括检验组合化学方法可能开发的各种药物的重要性日益增加，以及对分子和原子反应过程中产生的资料进行有效管理的需求日益增长，其中包括日益关注和投资数量的增加支持研发工作。此外，新药的开拓、检验组合化学方法创建的各种候选药物的重要性日益增加，以及不断增加的研发力度正在推动化学资讯学市场的发展。

增加药物研发的创新与进步

市场推动因素之一是药物研发过程的进步和创新。化学资讯学在药物研发过程中有许多应用，包括化合物选择、虚拟库开发、虚拟高通量筛检、HTS资料探勘和电脑 ADMET。例如，根据 2021 年 6 月出版的题为“Cheminformatics Approaches in the Discovery of Drugs for Neglected Tropical Medicines”的学术期刊报道，化学信息学已成为药物研发过程中的基本要素，加快了寻找具有所需理化性质的新化学实体的速度。 、药理学、毒理学和药物动力学特性。因此，化学资讯学的市场规模预计将因这些因素而扩大。

化学分析的需求增加

化学资讯学是一门结合化学和资讯学的学科，旨在解决分子建模、药物开发、生物资讯学和生物资料库中的问题。化学资讯学可以帮助克服分子多样性、高通量筛检(HTS) 以及小分子和化合物虚拟库的挑战。此外，我们还协助创建大型化合物集合的资料库，这些资料库使用计算技术来根据各种属性搜寻正在分析的库。该领域在创新药物创造中的受欢迎是因为该领域所使用的技术广泛适用于药物开发的所有领域，包括目标识别和3D结构的建构。

扩大虚拟筛检在药物研发的应用

虚拟筛检技术用于利用化学资讯学技术的药物研发。虚拟筛检可用于根据溶解度和 ADMET 特性等参数从库中去除不需要的化合物。大型In Silico文库也可以透过这种方式进行筛检，以找到具有合适特性的化合物并在实验高通量筛检之前收集资料。使用适合研究化学空间、动态和药物动力学特征的创新虚拟筛检方法对大型化合物库进行了In Silico评估。因此，发现新化合物过程中的成本、基础设施和时间都减少了。

个体化医疗意识不断增强

由于慢性病的不可持续严重性，人们对个人化医疗的认识不断提高，以及对有效药物的需求正在推动开发新药，并对化学资讯市场份额的扩大产生积极影响。这些技术广泛应用于药物设计过程的各个阶段。寻找具有预测成功率的有效先导标靶的方法将永远改变药物的发现方式，并增加降低高药物损耗率的努力成功的可能性。此外，由于研发强度的增加，技术创新的贡献正在加强该领域。

北美预计将主导化学资讯学市场

预计北美地区将在预测期内引领化学资讯学市场。加速药物研发的生物技术融资的成长以及该地区许多重要参与者的存在是推动扩张的因素。其他原因包括疾病传播。例如，根据美国健康信託组织2020年发布的报告，美国成人肥胖率约为42.4%，首次超过40.0%的基准值。自2008年以来，全国成年人肥胖率增加了26.0%。

设备成本高

NGS 技术的进步增加了对快速、高精度和用户友好的生物资讯学工具的需求。并非所有进行实验研究的科学家都是化学资讯学家。因此，拥有易于使用的工具来利用生物资讯系统极为重要。许多化学资讯学程式缺乏合适的用户友好介面，并且通常需要大量的电脑知识。基因组分析设备的成本从 1000 万美元到 2000 万美元不等，但由于其增强的特性和功能，同样昂贵。製药公司和研究机构需要大量此类系统，因此花费大量资金购买多种基因组仪器。

主要市场产品

• 2022年9月，OpenEye Scientific Software被美国电脑软体公司Cadence Design Systems收购，收购价格未公开。此次收购将 Cadence 在计算软体方面的核心能力扩展到生命科学分子建模和仿真，从而推进了 Cadence 的智慧型系统设计 (Intelligent System DesignTM) 方法。分子建模和化学资讯软体由美国软体公司 OpenEye Scientific Software 提供。 2022年7月，结合科学、资料和决策的研发科学软体领导者Dotmatics药物研发方案。该解决方案利用该公司在小分子药物研究方面超过 15 年的经验开发的最佳实践，使公司能够更轻鬆地进行创新。 2022 年 7 月，Dotmatics 的新化学软体可用于小分子药物发现。该平台促进研究团队的沟通和效率，同时最大限度地减少业务浪费并实现资料主导的决策。新计划还提供了药物开发步骤的模板，从先导化合物优化研究到命中化合物鑑定。

目录

第一章简介

• 市场概况
• 市场定义
• 调查范围
• 市场区隔
• 货币
• 先决条件
• 基准年和预测年时间表

第二章调查方法

• 调查资料
• 先决条件

第三章执行摘要

• 研究亮点

第四章市场动态

• 市场驱动因素
• 市场抑制因素
• 波特五力分析
• 产业价值链分析

第五章化学资讯学市场：依应用分类

• 介绍
• 药物研发
• 化学分析
• 药品检验
• 其他的

第六章化学资讯学市场：依最终用途

• 介绍
• 化学品
• 药品
• 研究/学术机构
• 监管中心
• 其他的

第七章化学资讯学市场：按地区

• 介绍
• 北美洲
  • 美国
  • 加拿大
  • 墨西哥
• 南美洲
  • 巴西
  • 阿根廷
  • 其他的
• 欧洲
  • 德国
  • 法国
  • 英国
  • 西班牙
  • 其他的
• 中东/非洲
  • 沙乌地阿拉伯
  • 阿拉伯聯合大公国
  • 以色列
  • 其他的
• 亚太地区
  • 中国
  • 日本
  • 印度
  • 韩国
  • 印尼
  • 台湾
  • 其他的

第八章竞争环境及分析

• 主要企业及策略分析
• 新兴企业和市场盈利
• 合併、收购、协议和合作
• 供应商竞争力矩阵

第九章 公司简介

• Agilent Technologies Inc.
• Bio-Rad Laboratories Inc.
• BioSolveIT GmbH
• BIOVIA（Dassault Systemes）
• ChemAxon, Inc.
• Eurofins CEREP SA（Eurofins Panlabs Inc.）
• Jubilant Biosys Inc.
• Molecular Discovery Ltd.
• OpenEye Scientific Software Inc.
• Schrodinger Inc.

The Chemoinformatics market is estimated to grow at a CAGR of 14.67% during the forecast period.

The rising incidence of chronic diseases and the corresponding need to develop novel treatments are a few major drivers. Other important factors include the growing significance of validating the variety of possible medications developed by combinatorial chemical methods, the rising emphasis on the efficient management of data produced during molecular and atomic reactions, and the rising number of investments sustaining R&D efforts. Moreover, the development of novel medications the growing significance of validating the wide range of potential drug candidates created by combinatorial chemical methods, and the rising number of R&D efforts are fueling the chemoinformatics market.

Rising innovations and advancements in drug discovery

One of the major market drivers is the advancement and innovation in the drug development process. Cheminformatics has many uses in the drug discovery process, including compound selection, virtual library development, virtual high throughput screening, HTS data mining, and in silico ADMET. For instance, cheminformatics has become an essential component of the drug discovery process and expedites the search for new chemicals with needed physicochemical, pharmacological, toxicological, and pharmacokinetic properties, according to the journal titled "Cheminformatics Approaches in the Discovery of Drugs for Neglected Tropical Diseases" published in June 2021. Therefore, it is expected that these factors will increase the chemoinformatics market size.

Increasing demand for chemical analysis

Cheminformatics is a discipline that combines chemistry and informatics to address problems in molecular modelling, drug development, bioinformatics, and biological databases. Cheminformatics aids in overcoming issues with molecular diversity, high-throughput screening (HTS), and virtual libraries of small molecules or compounds. Additionally, it aids in the creation of a database of sizable compound collections that uses computational techniques to search the library during analysis based on different properties. The popularity of the field in the creation of innovative medications is a result of the technologies used in it being widely applicable across the spectrum of drug development, including target identification and 3D structure construction.

Rising use of virtual screening for drug discovery

Virtual screening technique is used in drug discovery using cheminformatics methods. Based on parameters like solubility and ADMET characteristics, virtual screening can be used to remove undesirable compounds from libraries. Large in silico libraries can also be screened using this method to find compounds with the appropriate properties and to gather data before experimental high-throughput screening. Large libraries of compounds were evaluated in silico using innovative virtual screening methodologies, which favoured the examination of their chemical space, pharmacodynamics, and pharmacokinetic features. As a result, less money, infrastructure, and time were expended during the process of discovering new chemical entities.

Increasing awareness of personalized medicines

The desire for effective medication driven by rising awareness of personalized medicine and the unsustainable weight of chronic diseases serves as an impetus for new drug development, which favourably affects the expansion of the chemoinformatics market share. These methods are used in a wide range of stages of the drug-designing process. The approach of finding effective lead targets with predicted success rates has completely changed how drugs are discovered, increasing the likelihood that efforts to reduce the high attrition rates of drugs will be successful. Additionally, the sector is strengthened due to the contributions of technological innovation as a result of the increasing R&D intensity.

North America is projected to dominate the chemoinformatics market

During the projected period, the North American region is anticipated to lead the chemoinformatics market. Increased financing for biotechnology sectors to speed up drug discovery and the presence of many important players in the area are some of the factors contributing to the expansion. Other causes include rising disease prevalence. For instance, according to a report released in 2020 by the Trust for America's Health Organisation, the adult obesity rate in the United States is around 42.4%, and for the first time, the national rate has been above the 40.0% threshold. Since 2008, there has been a 26.0% nationwide increase in the adult obesity rate.

High equipment cost

NGS technology advancements have increased the demand for rapid, precise, and user-friendly bioinformatics tools. Not all scientists conducting experimental research are chemoinformaticians. Because of this, having accessible tools is crucial for using bioinformatics systems. Because many chemoinformatics programmes lack an appropriate user-friendly interface, they frequently require significant computer knowledge. The cost of genomic instruments, which ranges from $10 million to $20 million, is similarly premium due to their enhanced features and functions. Pharmaceutical businesses and research labs spend a lot of capital money buying several genomic equipment because they need so many of these systems. which impedes the chemoinformatics market.

Market key products

• In September 2022, OpenEye Scientific Software was acquired by American computer software company Cadence Design Systems for an undisclosed price. By expanding Cadence's core competency in computational software to include life sciences molecular modelling and simulation, the acquisition advances Cadence's Intelligent System DesignTM approach. Software for molecular modelling and cheminformatics is offered by the American software company OpenEye Scientific Software.
• In July 2022, the Small Molecule Drug Discovery Solution, which is an integrated scientific R&D platform with prepared workflows and enhanced data management capabilities, has been released by Dotmatics, a leader in R&D scientific software combining science, data, and decision-making. By using best practices developed from the company's more than 15 years of experience enabling small molecule drug research, the solution enables businesses to innovate more readily
• In July 2022, new chemical software from Dotmatics was made available for finding small-molecule medicines. The platform encourages research team communication and efficiency while minimising operational waste and allowing data-driven decision-making. The new programme also comes with templates for drug development procedures, from lead optimisation studies to hit identification.

Segmentation:

By Application

• Drug Discovery
• Chemical Analysis
• Drug Validation
• Others

By End-Use

• Chemical
• Pharmaceutical
• Research and Academic Institutions
• Regulatory Centers
• Others

By Geography

• North America
• United States
• Canada
• Mexico
• South America
• Brazil
• Argentina
• Others
• Europe
• United Kingdom
• Germany
• France
• Spain
• Others
• Middle East and Africa
• Saudi Arabia
• UAE
• Israel
• Others
• Asia Pacific
• China
• Japan
• India
• South Korea
• Indonesia
• Thailand
• Others

TABLE OF CONTENTS

1. INTRODUCTION

• 1.1. Market Overview
• 1.2. Market Definition
• 1.3. Scope of the Study
• 1.4. Market Segmentation
• 1.5. Currency
• 1.6. Assumptions
• 1.7. Base, and Forecast Years Timeline

2. RESEARCH METHODOLOGY

• 2.1. Research Data
• 2.2. Assumptions

3. EXECUTIVE SUMMARY

• 3.1. Research Highlights

4. MARKET DYNAMICS

• 4.1. Market Drivers
• 4.2. Market Restraints
• 4.3. Porter's Five Force Analysis
  • 4.3.1. Bargaining Power of Suppliers
  • 4.3.2. Bargaining Power of Buyers
  • 4.3.3. Threat of New Entrants
  • 4.3.4. Threat of Substitutes
  • 4.3.5. Competitive Rivalry in the Industry
• 4.4. Industry Value Chain Analysis

5. CHEMOINFORMATICS MARKET, BY APPLICATION

• 5.1. Introduction
• 5.2. Drug Discovery
• 5.3. Chemical Analysis
• 5.4. Drug Validation
• 5.5. Others

6. CHEMOINFORMATICS MARKET, BY END-USE

• 6.1. Introduction
• 6.2. Chemical
• 6.3. Pharmaceutical
• 6.4. Research and Academic Institutions
• 6.5. Regulatory Centers
• 6.6. Others

7. CHEMOINFORMATICS MARKET, BY GEOGRAPHY

• 7.1. Introduction
• 7.2. North America
  • 7.2.1. USA
  • 7.2.2. Canada
  • 7.2.3. Mexico
• 7.3. South America
  • 7.3.1. Brazil
  • 7.3.2. Argentina
  • 7.3.3. Others
• 7.4. Europe
  • 7.4.1. Germany
  • 7.4.2. France
  • 7.4.3. United Kingdom
  • 7.4.4. Spain
  • 7.4.5. Others
• 7.5. Middle East And Africa
  • 7.5.1. Saudi Arabia
  • 7.5.2. UAE
  • 7.5.3. Israel
  • 7.5.4. Others
• 7.6. Asia Pacific
  • 7.6.1. China
  • 7.6.2. Japan
  • 7.6.3. India
  • 7.6.4. South Korea
  • 7.6.5. Indonesia
  • 7.6.6. Taiwan
  • 7.6.7. Others

8. COMPETITIVE ENVIRONMENT AND ANALYSIS

• 8.1. Major Players and Strategy Analysis
• 8.2. Emerging Players and Market Lucrativeness
• 8.3. Mergers, Acquisitions, Agreements, and Collaborations
• 8.4. Vendor Competitiveness Matrix

9. COMPANY PROFILES

• 9.1. Agilent Technologies Inc.
• 9.2. Bio-Rad Laboratories Inc.
• 9.3. BioSolveIT GmbH
• 9.4. BIOVIA (Dassault Systemes)
• 9.5. ChemAxon, Inc.
• 9.6. Eurofins CEREP SA (Eurofins Panlabs Inc.)
• 9.7. Jubilant Biosys Inc.
• 9.8. Molecular Discovery Ltd.
• 9.9. OpenEye Scientific Software Inc.
• 9.10. Schrodinger Inc.