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The Global Computer-aided Drug Discovery Market Anticipated to Register a Revenue of $7,914.2 Million, Growing at a CAGR of 15.0% from 2021 to 2028

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The global computer-aided drug discovery market is expected to be valued at $7,914.2 million by 2028, surging from $2,741.1 million in 2020 at a noteworthy CAGR of 15.0%.

Impact Analysis of COVID-19 on the Computer-aided Drug Discovery Market

The pandemic has negatively impacted almost every industry segment in the various ways such as obstructions in supply chain along with delay in the product manufacturing. On the other hand, the global computer-aided drug discovery (CADD) market has witnessed a positive impact, throughout the COVID-19 pandemic. The computational technologies specifically computer-aided virtual screening and molecular modelling can play crucial role in understanding the structural aspects of multiple molecular targets of coronavirus as well as identification of novel lead molecules. Also, research institutes and pharmaceutical & biotechnology firms are coming up with their efforts to fight against global pandemic. For instance, in May 2020, researchers at Laufer Center, a hub for research in Physical and Quantitative Biology at Stony Brook University, are adopting computing therapeutic area to discover chemicals that activate or inhibit the viral molecules. It is expected that this research may speed-up the drug discovery for the coronavirus treatment.

Global Computer-aided Drug Discovery Market Analysis

In the past few years, prevalence of chronic diseases such as cardiovascular diseases are exponentially increased. As per information of World Health Organization (WHO), the specialized agency of the United Nations (UN) responsible for international public health, it is estimated that the number of CVD patients may reach up to 23 million by the end of 2030. Also, as per data published by Premier, Inc., a notable healthcare improvement company, the need for novel drugs for the treatment of CVD conditions have massively increased owing to the COVID-19 crisis. Above-mentioned facts & figures showcases that the need for development of new drug molecules is expected to increase, which may eventually create positive impact on the global computer-aided drug discovery market, in the analysis period.

However, lack of skilled labor for operating computer aided drug discovery solutions may hamper the global Market Growth. Also, lower product penetration in the emerging economies is also restraining the global computer-aided drug discovery market.

On the other hand, emerging concepts of artificial intelligence (AI) and big data in computer-aided drug discovery may drive the market, throughout forecast time period. Artificial intelligence can be significantly utilized in multiple parts of drug discovery such as drug design, chemical synthesis, drug screening, drug repurposing, and polypharmacology. Moreover, AI has provided various opportunities to the startup-companies to enter the market and use AI therapeutic area in the integration with computer aided drug discovery.  For example, in June 20201, Mydecine Innovations Group, the US based emerging biopharma and life sciences firm, announced the official release of its in-silico drug discovery program in collaboration with team of researchers at the University of Alberta. The program is emphasized mainly on designing AI and machine learning (ML) based drug screenings and development. Such novel innovations may create attractive opportunities for the investors in the global computer-aided drug discovery industry.

Global Computer-aided Drug Discovery Market, Segmentation

The global computer-aided drug discovery market is segmented based on type, therapeutic area, end-user, and region.


The type segment is further classified into structure-based drug design, ligand-based drug design, and sequence-based approaches. Among these, the ligand-based drug design is expected to have the significant share and it is expected to cross $3,366.4 million by 2028, with the increase from $1,175.3 million in 2020.

The growth of ligand-based drug design is majorly driven due to its key features that provide predictive models significantly suitable for lead compound optimization. Also, ligand-based methods may also include substrate analogues and natural products that interact with the target molecule which may help in yielding the desired pharmacological effect. All these factors will rise enhance the computer-aided drug discovery market, during the analysis period.

Therapeutic area:

The therapeutic area segment is further fragmented into neurology, oncology, cardiovascular disease, respiratory disease, diabetes, and others. The cardiovascular disease sub-segment is expected to have the highest growth in the global market and generate a revenue of $1,368.6 million by 2028. In the recent past years, the incidence of non-communicable diseases (NCDs) particularly cardiovascular diseases (CVDs) has increased exponentially across the globe. For example, as per data published by Centers for Disease Control and Prevention (CDC), U.S. based national public health agency, heart-disease is one of the leading causes of death specifically in the US., causing almost 1 in 4 deaths. All such factors are expected drive the demand for novel drug molecules, which may increase the growth of the computer-aided drug discovery market, in the analysis period.


The end-user segment is further divided into biotechnology companies, pharmaceutical companies, and research laboratories. The pharmaceutical companies sub-segment is expected to have a significant CAGR in and generate a revenue of $2,646.9 million, during the forecast period. The growth of pharmaceutical companies subsegment is mainly attributed to the growing R&D investments, along with major technological innovations. Moreover, in September 2019, AstraZeneca, world-leading pharmaceutical company announced the official partnership with Schrodinger, the scientific leader in developing state-of-the-art chemical simulation software. As per this agreement, AstraZeneca is expected accelerate drug discovery with the help of Schrodinger’s advanced computing platform to. Such company developments are creating positive impact on the subsegment’s growth, in the coming years.


The computer-aided drug discovery market for the Asia-Pacific region is anticipated to have a lucrative growth. This market generated a revenue of $714.2 million in 2020 and is further estimated to cross up to $2,271.4 million by 2028. This growth is mainly attributed to the increasing research and innovation by the healthcare firms that are operating in the region. Also, the number of patients suffering from multiple diseases like CVD and diabetes are increasing dramatically particularly in the China and India may also create positive impact on the market, throughout the forecast period.

Key Players in the Global Computer-aided drug discovery Market

Some of the leading global computer-aided drug discovery market players are

  1. BOCSCI Inc.,
  2. Bioduro-Sundia,
  3. Schrödinger, Inc.,
  4. Aragen Life Sciences Pvt. Ltd.,
  5. Aris Pharmaceuticals, Inc,
  6. Charles River Laboratories,
  7. Bayer AG,
  8. AstraZeneca, 
  9. Albany Molecular Research Inc. (AMRI).

Along with the company profiles of the key players in the market, the report includes the Porter’s five forces model that gives deep insights into the competitive environment of the market.

Porter’s Five Forces Analysis for the Global Computer-aided drug discovery Market

  • Bargaining Power of Buyer: Buyers have moderate bargaining power, mainly because of the limited number of computer-aided drug discovery service providers. Thus, the buyer can choose the service that best fits its preferences. 
    The bargaining power of the buyer is Moderate.
  • Bargaining Power of Suppliers: Companies involved in the computer-aided drug discovery business are moderate in number. Thus, the negotiation power of Computer-aided drug discovery decreases.
    Hence, the bargaining power of the supplier is Moderate.
  • Threat of New Entrants: The startups entering this market are providing advanced solutions to the clients. Moreover, these organizations are mainly focusing on the implementation of multiple strategies, brand development, product innovation and many others.  
    Thus, the threat of the new entrants is High.
  • Threat of Substitutes:  There is no substitute available for the computer-aided drug discovery.
    Therefore, the threat of substitute is Low.
  • Competitive Rivalry in the Market: The ventures operating in the global Computer-aided drug discovery industry are opting for multiple businesses development strategies to stronghold their market position in the industry. Also, the key players like Charles River Laboratories, Bayer AG, and Albany Molecular Research Inc. (AMRI)., are investing heavily to provide integrated services to the customers.
    Therefore, competitive rivalry in the market is High. 
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