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Jul 10, 2024

In-Silico Drug Discovery- A Game Changer? New Market Research Report Provides Deep Industry Insights

InsightAce Analytic Pvt. Ltd. announces the release of a market assessment report on the "Global In-Silico Drug Discovery Market Size, Share & Trends Analysis By Products (Software, Software-as-a-Service (SaaS), Consultancy-as-a-Service), By Workflow (Discovery, Pre-Clinical Tests, Clinical Trials), By Technology(Artificial Intelligence, Graphics Processing Unit (GPU)), By Software Type (Molecular Modelling And De Novo Drug Design Software, Pharmacophore Modelling Software), By End User (Contract Research Organizations, Pharmaceutical And Biopharmaceutical Companies, Academic And Research Institutes)- Market Outlook And Industry Analysis 2031"


The Global In-Silico Drug Discovery Market is valued at US$ 10.9 Bn in 2023, and it is expected to reach US$ 40.3 Bn by 2031, with a CAGR of 18.05 % during the forecast period of 2024-2031.


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In-silico drug discovery has transformed pharmaceutical research by harnessing computational methods to identify and optimize potential drug candidates. Through techniques like virtual screening and molecular docking, researchers can swiftly sift through vast libraries of compounds to pinpoint those most likely to interact effectively with specific biological targets. This accelerates the early stages of drug discovery by focusing resources on promising candidates, thereby reducing time and costs traditionally associated with experimental screening. Moreover, in-silico methods such as QSAR modeling and molecular dynamics simulations refine lead compounds for enhanced potency, selectivity, and favorable drug-like properties. These predictive tools not only streamline the drug development process but also contribute to reducing reliance on animal testing by allowing researchers to assess potential efficacy and safety profiles early on.


The market for in-silico drug discovery offers a range of products and services tailored to meet the needs of pharmaceutical companies and research institutions. This includes sophisticated software platforms for molecular modeling and virtual screening, cloud-based solutions that provide scalable access to computational tools, and consultancy services staffed by experts in computational biology and drug discovery. Additionally, advancements in artificial intelligence and machine learning have further accelerated in-silico drug discovery by improving predictive modeling accuracy and enabling deeper insights from complex biological data. These technologies continue to drive innovation in drug development, offering new opportunities for discovering novel therapies and repurposing existing drugs for new indications, all while adhering to ethical considerations and regulatory standards.


List of Prominent Players in the In-Silico Drug Discovery Market:

  • Aragen Life Sciences Pvt. Ltd.
  • Curia Global, Inc.
  • Certara, USA.
  • Charles River
  • Chemical Computing Group ULC.
  • Collaborative Drug Discovery Inc.
  • Dassault Systemes
  • e-therapeutics plc.
  • Evotec
  • Insilico Medicine
  • Ligand Pharmaceuticals Incorporated
  • Numerate, Inc.
  • PerkinElmer Inc.
  • Schrödinger, Inc.
  • Selvita
  • Simulations Plus
  • Tracxn Technologies
  • WuXi AppTec
  • Others


Market Dynamics:


The escalating costs associated with traditional drug development methods, particularly in clinical trials, have driven pharmaceutical companies to adopt in-silico drug discovery techniques. In-silico approaches offer substantial cost savings by minimizing the number of compounds that require synthesis and experimental testing, thus streamlining the drug development process from virtual screening to molecular modeling.


Advances in computing power have further enhanced these capabilities, facilitating faster simulations and big data analyses. Moreover, the increasing adoption of cloud-based applications provides researchers with scalable computational resources, fostering collaboration, data sharing, and access to specialized tools. This convergence of cost-saving benefits and technological advancements underscores the pivotal role of in-silico drug discovery in accelerating timelines and improving efficiency in pharmaceutical research and development.



In-silico drug development faces regulatory challenges in validating computational models and integrating them into drug discovery practices. Limited availability of high-complexity testing centers and high costs are practical obstacles. Despite its potential to accelerate early-stage development, bridging the gap with experimental validation remains critical for ensuring drug safety and efficacy.


Regional Trends:

The demand for in-silico drug discovery in North America is propelled by the urgent need for treatments for rare diseases like Lou Gehrig's disease and cystic fibrosis, driven by a sizable patient population in the U.S. seeking innovative therapies. The region benefits from a flexible regulatory environment established by the U.S. FDA, which supports the adoption of computational methods in drug development through streamlined co-development processes. North America's advanced infrastructure and robust partnerships among service providers and manufacturers further bolster the market. Key players like Schrodinger, Dassault Systèmes, and Certara, headquartered in the region, contribute significantly to research and development efforts, enhancing the efficacy and accessibility of in-silico drug discovery solutions.


Recent Developments:

  • In March 2024, Selvita S.A. has announced a strategic initiative to expand into biologic drug discovery and development, focusing on therapeutic antibody discovery. This move includes adding a skilled team and fully equipped laboratories to their service portfolio.
  • In May 2024, Insilico Medicine initiated the first in-patient dose for ISM8207, a novel small molecule inhibitor targeting QPCTL, co-developed with Fosun Pharma for treating advanced malignant tumors.
  • In June 2024, Certara, Inc., a global leader in model-informed drug development, has launched an updated version of the Simcyp™ Simulator for physiologically based pharmacokinetic (PBPK) modeling. This latest release introduces significant advancements designed to enhance decision-making capabilities for clients utilizing the simulator across all stages of drug development.


Segmentation of In-Silico Drug Discovery Market-

By Products:

  • Software
  • Software-as-a-Service (SaaS)
  • Consultancy-as-a-Service

By Workflow:

  • Discovery
  • Target Identification
  • Bioinformatics
  • Reverse Docking
  • Protein Structure Prediction
  • Target Validation
  • Lead Discovery
  • Library Design
  • Pharmacophore
  • Pre-Clinical Tests
  • Clinical Trials

By Technology:

  • Artificial Intelligence
  • Graphics Processing Unit (GPU)
  • Other Technologies
  • In-Silico Fishing
  • RNN for Drug Design

By Software Type-:

  • Molecular modelling and de novo drug design software
  • Pharmacophore Modelling software

By End User:

  • Contract Research Organizations
  • Pharmaceutical and Biopharmaceutical Companies
  • Academic and Research Institutes
  • Others


By Region-

North America-

  • The US
  • Canada
  • Mexico


  • Germany
  • The UK
  • France
  • Italy
  • Spain
  • Rest of Europe


  • China
  • Japan
  • India
  • South Korea
  • Southeast Asia
  • Rest of Asia Pacific

Latin America-

  • Brazil
  • Argentina
  • Rest of Latin America

 Middle East & Africa-

  • GCC Countries
  • South Africa
  • Rest of Middle East and Africa