GLOBALCOMPUTERSIMULATED

The report offers an in-depth analysis of the computer simulated market at global level, along with an exclusive breakdown of related trends across major countries from North America, Europe, Asia-Pacific, South America and Africa. Micro and macro factors which act as drivers and restraints to the global computer simulated market are identified and assessed. Trends in relation to the market maturity across the geographical regions are evaluated. Porter's five forces analysis for the industry is included in the report. The reports also features with profiling of the leading companies in global Computer Simulated (in-silico) Drug Discovery market along with their major business development strategies adopted towards achieving their growth.

(IN-SILICO)DRUG DISCOVERY MARKET

1. Research Methodology and Scope2. Executive Summary3. Market Dynamics

3.1 Drivers 3.2 Restraints 3.3 Porters Five Forces Analysis

4. Industry Regulations5. Competitive Landscape6. Computer Simulated Drug Discovery Market by Workflow

6.1 Lead Discovery 6.1.1 Target Identification 6.1.1.1 Bioinformatics  6.1.1.2 Reverse Docking  6.1.1.3 Protein Structure Prediction 6.2 Target Validation  6.2.1 Library Design 6.2.2 Pharmacophore 6.3 Pre-Clinical Tests 6.4 Clinical Trials

7. Computer Simulated Drug Discovery Market by Product        7.1 Software        7.2 Cloud        7.3 Consultancy as a Service

8. Computer Simulated Drug Discovery Market by Software 8.1 Molecular Modelling and de Novo Drug Design Software        8.2 Pharmacophore Modelling Software

9. Computer Simulated Drug Discovery Market by End-User 9.1 Contract Research Organizations 9.2 Pharmaceutical Industry 9.3 Academic and Research Institutes 9.4 Others

10. Computer Simulated Drug Discovery Market by Region 10.1 North America 10.1.1 United States 10.1.2 Canada 10.1.3 Mexico 10.2 Europe 10.2.1 United Kingdom 10.2.2 Spain 10.2.3 Italy 10.2.4 Russia                  10.2.5 Germany                  10.2.6 Rest of Europe

TABLE OF CONTENTS

10.3 Asia-Pacific                10.3.1 China                  10.3.2 India                  10.3.3 Japan                  10.3.4 Australia                  10.3.5 South Korea                  10.3.6 Rest of Asia-Pacific        10.4 South America          10.4.1 Brazil          10.4.2 Rest of South America        10.5 Middle East and Africa

11. Competitive Landscape11.1 Market Share Analysis

        11.2 Product Launch Analysis12. Company Profiles

        12.1 Albany Molecular Research        12.2 Charles River        12.3 Evotech        12.4 Simulation Plus        12.5 Selvita        12.6 Dassault System        12.7 WuXi AppTec        12.8 Certara USA, Inc        12.9 Collaborative Drug Discovery Inc        12.10 PerkinElmer, Inc

13. Appendix

ResearchMethodologyand Scope

1.1 Study Deliverables1.2 Market Segmentation1.3 Study Assumptions1.4 Research Methodology1.5 Research Phases

Research Methodology and Scope | 5

AIM AND OBJECTIVE OF THE STUDY

Market analysis and forecast for the global computer simulated drug discovery market, with region-specific assessments and competition analysis.

STUDY PERIOD BASE YEAR COMPANIES ANALYZED

2015 - 2025 2019 17

SEGMENTS COVERED

GEOGRAPHIC SCOPE

Market Overview

Drivers & Restraints

Porter’s Five Forces

Geographical Segment &

SugsegmentAnalysis

Key Players: Profiles & Strategies

Competitive Landscape

1.1 | Study Deliverables

Research Methodology and Scope | 6

GLOBAL COMPUTER SIMLUATED (IN-SILICO) DRUG

DISCOVERY MARKET

BY GEOGRAPHY

North America

Canada United Kingdom India Rest of

South America

Mexico Italy Japan

Russia Australia

Germany South Korea

Rest of Europe Rest of Asia - Pacific

USA Spain China Brazil

Asia - Pacific

South America

Middle East & AfricaEurope

1.2 | Market Segmentation

Research Methodology and Scope | 71.3 | Study Assumptions

The base currency considered was the United States Dollar (USD). The conversion of other currencies to USD was considered based on the average exchange rate for the respective review period years. The exchange rate conversion for forecast period was determined according to the base year’s conversion rates.

The base year was identified based on the availability of annual reports and secondary information. The base year considered for this study is 2019. COVID-19 Impact has been considered into the scope of the report.

The review period considered for this study is from 2015 to 2019. CAGR is estimated for 2020-2025, which is the forecast period considered under the study.

Market size estimations for the forecast years are in nominal terms. Inflation is not considered for price calculations and the Average Selling Price (ASP) was kept constant through the forecast period for each country.

Distribution of primary interviews conducted was based on the regional share of the market and the presence of key players in each region.

As a result of data-triangulation through multiple methodologies and approaches, the weighted averages of resulting estimates were considered to be the final values.

Research Methodology and Scope | 81.4 | Research Methodology

Research Methodology and Scope | 91.5 | Research Phases

29%

23%12%

11%

10%

8%

4%3%

Primary Interviews

CEOs / CFOsBoard MembersResearch HeadsGovernment OfficialsStrategic Decision MakersAgricultural ResearchersFinancial AdvisorsInvestors

• Company Annual reports• Research Journals• Government Publications• News Articles and Press

Releases

• Seed/Agricultural Researchers

• Sales Managers• Farmers’ Associations• Agricultural Officials at

Government Level

• Seed Scientists /Researchers

• External Subject Matter Experts

• Select Officials from Seed Companies

• In-House Subject Matter Experts

Insights from Data andForecasts are Compiled

Secondary Research

Discussion Guide

Primary Research

Econometric Modelling

Expert Validation

Data Triangulation

Report Writing

• Company Related Queries• Market Related Queries• Company Financials

• Forecasting Model• Monte Carlo Simulation

• Revalidation of Numbers Through Primaries

• Combination of Top-Down and Bottom-Up Approach

MarketDynamics

2.1 Introduction: Drivers and Restraints

Market Dynamics | 112.1 | Introduction: Drivers and Restraints

MarketDrivers

MarketRestraints

Software based drug development helps in eliminating the rate of errors and improve the accuracy and accessibility.

Hence, in-silico drug discovery offers great growth opportunities to reduction in medical errors in developing new drugs.

Emphasis on reduction in

medical errors and readmission rates

Lack of high complexity testing

centers

High capital requirement for

global expansion

Expensive Procedure and their application

in treatment

Technical advancements in

the Computational Biology

Growth in the Biomarker

identification market and advancements

in In-Silico Drug Discovery

techniques

High

Low

Low

High

Need for high investment in the infrastructure is the key drawback for the companies to invest in computer aided drug development.

The capital investment required varies based on the size and capabilities of the laboratory.

IMPA

CT

IMPA

CT

Market Dynamics | 122.1 | Introduction: Drivers and Restraints

MARKET DRIVERS

EMPHASIS ON REDUCTION IN MEDICAL ERRORS AND READMISSION RATES

ADVERSE EVENT ANALYSIS BY SELECTED COUNTRIES

• Traditional Drug development has drawbacks of poor accuracy, patient privacy, lack of accessibility and risk to the developers.

• The presence of error in the drug development is the major issue, that might lead to an adverse consequences.

• Though the existing developments cannot completely eliminate the errors and it is difficult to improve or present error in the manual process.

• Hence, In-silico or computer aided drug discovery offers great opportunities for eliminating these errors by using computer simulation, that can improve the drug performance and accuracy.

• The key advance of computer aided drug discovery is, it is able to share the information among the developers and medical practitioners instantaneously.

• Based on the data published by Centre of Clinical Epidemiology and Biostatistics 2016, Australia had highest number of adverse events 14,179 that accounted for 16.6% of the total number of adverse event patients, of which 51% of the events were found to be preventable.

• European countries such as UK and Denmark have shown higher percentage of adverse events.• In the US, software-based treatment adoption resulted to significantly declined adverse events

to 3.7% in 2016.• Hence, the above points reflects that computer aided drug development would attain greater

role in future drug development.

Country % Patients with Adverse Events

% of Preventable Adverse Events

Australia 16.6 51

US 3.7 N/A

UK 10.8 48

Canada 7.5 36.9

Market Dynamics | 13

RESTRAINTS

LACK OF HIGH COMPLEXITY TESTING CENTRES

• Growing technological advancements, new software and infrastructure setup would incur high capital investments.

• Maintaining the infrastructure and other technology platforms is also an difficult and expensive process.

• In order to achieve high efficiency and develop competitive priced products, the firms need to undergo immense testing on high volume test sets.

• For instance, increasing automation to support complex genomic testing processes is apparent, but also at the same time, requires a high test volume.

• High complex testing centres would require professionals with diverse skill set, and it is difficult to recruit highly trained professionals, besides high salary offered to them.

• Commercial organizations have high influence and resources to implement these methodologies, however the majority of the financial burden is imposed on patients which is leading to the unavailability of high complex testing centres.

2.1 | Introduction: Drivers and Restraints

Segmentationby Workfl ow

3.1 Overview Overview – Drug Discovery

Segmentation by Workflow | 15

OVERVIEW

GLOBAL COMPUTER SIMULATED (IN-SILICO) DRUG DISCOVERY MARKET

VALUE, IN USD MILLION, 2018-2026

2018 2019 2020 2021 2022 2023 2024 2025 2026

Discovery 1068.49 1201.50 1352.46 1524.07 1719.36 1941.78 2195.50 2485.10 2816.23

Pre-Clinical 900.21 1010.90 1136.30 1278.80 1440.61 1624.74 1834.43 2073.65 2346.66

Clinical 216.37 239.95 266.34 295.86 329.04 366.18 408.01 455.06 507.95

• In-silico drug design play a significant role in all stages of drug discovery from initial stages to final stages of development.

• Computer aided drug development enables to address wide range of problems in an single targeted assay. The technology has led to the new era of drug-research.

• The software development for drugs offers further opportunities for research applications in genomic fields.

• Based on data published by Supercomputing Facility for Bioinformatics and Computational Biology in 2018, in-silico drug discovery has reduced the cost approximately USD 880 million, and development process can be finalized by 12 years.

• In-silico drug discovery is a process of developing drugs using computational methods. The main aim of this process is to investigate new drug molecules that can bind to a specific target.

• In drug development process followed as identification of lead structure, synthesis of its analogs and then identification of molecules for drug development.

• It is one of the standard approach that is utilized by major biotechnological research centers and pharmaceutical companies.

• In conventional drug discovery process, identification of target drug is the primary task also known as biomolecules.

• In order to validate such targets, it is necessary to show necessary level of identification and validation. This validation can be performed from basic levels such as molecular and cellular levels to the advanced level.

Target Identification

Lead Identification

Pre-Clinical Studies

Target Validation

Lead Validation

Clinical Trials

3.1 | Overview

Segmentation by Workflow | 16

GLOBAL COMPUTER SIMULATED DRUG DISCOVERY MARKET VALUE BY STAGE

TYPE, USD MILLION

3000.00

2500.00

2000.00

1500.00

1000.00

500.00

0.00

• In-silico drug discovery offers market opportunities for software, services, and artificial intelligence.

• Techniques used in the market provide data efficiently with a greater degree of certainty, with the focused power of in-silico drug discovery solutions.

2018 2019 2020 2021 2022 2023 2024 2025 2026

3.1 | Overview

295.97 332.69 374.31 421.57 475.40 536.61 606.44 686.06 777.11

343.02 386.42 435.87 492.10 556.26 629.46 713.05 808.75 918.26

429.50 482.39 542.28 610.40 687.70 775.71 876.01 990.28 1120.86

Lead Discovery

Legend:

Target Validation

Target Identification

Segmentation by Workflow | 173.1.1 | Overview – Drug Discovery

0

50

100

150

200

250

300

2018 2019 2020 2021 2022 2023 2024 2025 2026

101.89 114.17127.98

143.73161.53

181.68204.60

230.69260.35

• Protein structure-based drug design mainly concentrates on the exploration, design, and optimization of a small molecule, and then identifies the binding site of a target protein to form interactions with molecules.

• Experimental techniques as well as computational methods are employed to discover a lead structure from a screening library. 

• Structure of the proteins is one of the factors that form the exterior of the coronavirus. The protein structures have the ability to bind to cell and invade that cell. Hence, knowing their structures will be able to design a drug to bind to the protein and prevent the virus from invading the cell.

• For instance, O’Hern group is using machine-learning techniques to determine whether a computational model of a protein is valid, it first understands the structure of the over 100,000 solved protein structures based on experiments, and then finds whether the computational models of COVID proteins have the similar features of known protein structures. If the existing models matches, then they can use molecular dynamics simulations to lead the computational models towards more reasonable structures.

• Besides O’Hern group other researchers across the world are working on Critical Assessment of Protein Structure Prediction (CASP) for CASP’s organizers to study the coronavirus proteins and to understand their structures.

• On 23rd June 2020, Schrödinger Thermo Fisher Scientific have extended their strategic collaboration for the use of cryo-EM technology with in-silico compound screening to accelerate drug discovery.

GLOBAL PROTEIN STRUCTURE PREDICTION MARKET VALUE,

2018-2026,USD MILLION

Segmentationby Product

4.1 Overview – Product Analysis4.2 Software Segment Analysis

Segmentation by Product | 19

0

500

1000

1500

2000

2500

3000

2018 2019 2020 2021 2022 2023 2024 2025 2026

GLOBAL COMPUTER SIMULATED(IN-SILICO) DRUG DISCOVERY MARKET VALUE BY PRODUCT TYPE, 2018-2026,

IN USD MILLION

• Software as a Service accounts for the major market share in the In-Silico Drug Discovery market. SaaS market accounts for 44% share in the product category.

• The software market provides innovative and cost effective model in the drug development process.

• In-Silico Drug discovery has been in the market for over 15 years, however, only few drugs have cleared the FDA approval process. This is majorly due to the high cost involved in the FDA compliance process

528.

894

7.568

1.8

592.

610

95.3

764.

5

664.

812

32.3

858.

1

839.

2

746.

513

88.0

964.

3

1565

.010

84.8

944.

517

66.4

1221

.7

1064

.319

96.2

1377

.5

1200

.6

1355

.825

58.0

1757

.1

2258

.415

54.8

4.1 | Overview – Product Analysis

Segmentation by Product | 204.2 | Software Segment Analysis

• Drug designing and development are the key stages in the in-silico drug discovery process that allow for the clinical trials make it to the market.

• Over the last three decades software based drug development has played an important role in the development of bioactive compounds.

• Structure-based drug design, molecular modeling, structure-based virtual screening, ligand interaction, and molecular dynamics are the key software methods of developing a drug.

• Computational methods such as docking confer interaction of small molecules with structural macromolecules are used in identification and lead optimization.

• Currently, the software methods are exhibiting an domineering role in different phases of drug discovery, especially in biomedicine sciences.

• New technologies such as virtual reality and AI are further adding enhanced opportunities for the drug discovery.

• For instance, in May 2020, Nanome, Inc., a virtual reality (VR) startup and Insilico Medicine, an artificial intelligence company have published a paper on developing 10 potential small molecule inhibitors targeting the SARS-CoV-2 main protease using AI.

• Insilico’s has previously been successful in designing small molecule drugs for a wide range of human diseases, such as cancer, fibrosis, and immunological diseases.

0

300

600

900

1200

1500

2018 2019 2020 2021 2022 2023 2024 2025 2026

528.8592.6

664.8746.5

839.2944.5

1064.31200.6

1355.8

GLOBAL COMPUTER SIMULATED(IN-SILICO) DRUG DISCOVERY MARKET VALUE, SOFTWARE TYPE, 2018-2026,

IN USD MILLION

“Software based drug discovery offers strong growth opportunities with increasing precision with low rate of errors and high accuracy. In 2020, the Global software based in-silico drug discovery market accounted to USD 592.6 million in 2019 and is expected to reach a USD 1355.8 million by 2026, showcasing a CAGR of 10.72% during the 2021-2026. “

Segmentationby Geography

5.1 Global Overview5.2 China Overview

Segmentation by Geography | 225.1 | Global Overview

0

1000

2000

3000

4000

5000

6000

2018 2019 2020 2021 2022 2023 2024 2025 2026

GLOBAL COMPUTER SIMULATED(IN-SILICO) DRUG DISCOVERY MARKET VALUE BY PRODUCT TYPE, 2018-2026,

IN USD MILLION

2185.072452.34

2755.093098.74

3489.743932.70

4437.945013.81

5670.84

• The growth in North America region is mainly due to growing adoption of computer aided drug design technologies besides government support towards improving healthcare system.

• Asia-Pacific region is expected to show strong growth in In-silico drug discovery market over the forecast period to 2026.

• The growth in Asia Pacific is mainly driven by emerging markets in the region.• The market offers greater opportunities especially in providing better treatment options and also

by reducing patient expenses there by economy.• Increased focus on toxicity and evaluation of chemicals and drugs are expected to be the main

line of development strategy among the biotechnical companies across the world.

41.62%

16.41%

9.34%4.22%

28.42% 25.88%

7.20%

16.23%

12.40%

9.74%13.47%

15.34%

Global Computer Simulated(In-Silico) Drug Discovery Market

Share by Region, 2020

Europe Computer Simulated(In-Silico) Drug Discovery Market

Share by Country, 2020

North AmericaEuropeAsia PacificLatin AmericaRest of the World

United KingdomFranceSpainItalyGermanyRussiaRest of Europe

Segmentation by Geography | 235.2 | China Overview

• Since 2015, China is being one of the prominent region for In-silico drug discovery market.• China is increasingly contributing to the industry in recent years. The growth and increasing

adoption in the country is mainly due to increasing development of various products by international giants and local players.

• The country is expected to showcase strong growth over the forecast period at a CAGR of around 11%.

• The anticipated growth in the country is mainly due to various government initiatives to incorporate drug discovery methodologies as a standard approach in their healthcare systems.

• In October 2019, Insilico Medicine in collaboration with Jiangsu Chia Tai Fenghai Pharmaceutical (CTFH) has signed a dual-program discovery, which worth up to USD 200 million.

• Insilico has recently raised USD 37 million in a series B round to further enhance AI-based pharma partnerships from China-based Qiming Venture Partners besides Eight Roads, Sinovation Ventures, Baidu Ventures, Deep Knowledge Ventures, F-Prime Capital, Lilly Asia Ventures, and others.

2018 2019 2020 2021 2022 2023 2024 2025 2026

109.9

233.9

China offers favorable market for In-silico drug discovery market with growing developments and joint partnerships with local and international players which supporting the growth. In 2020, the China Drug Discovery market accounted to USD 109.9 million and is expected to reach a USD 233.9 million by 2026, showcasing a CAGR of 11.11% during the 2021-2026.

CompetitiveLandscape

6.1 Strategies Adopted by Leading Players6.2 Market Share Analysis

Competitive Landscape | 256.1 | Strategies Adopted by Leading Players

• Product Launches, business expansions, mergers and acquisitions, patents and approvals, agreements and collaborations are the key strategies adopted by the companies across the world.

• Agreements, Partnerships and collaborations is been the key strategy for most of the companies among the global nations.

• Large Pharma companies are investing greatly into drug discovery and development firms and their technologies, That leading to the rapid design and development of drugs or therapies.

• Some of the recent developments in the market are: ⚬ In June 2020, Cresset Discovery Services, in collaboration with Inocardia, provider of

cardiac safety testing models, the agreement involves one-year collaboration to develop improved computational methods for cardiac safety assessments. the collaboration is backed by University of Coventry and UCB and is supported by EIT Digital.

⚬ In May 2020, Insitro, a drug-discovery firm is utilizing high-amount of biology and machine-learning techniques to steer immense data sets in drug design and development. The company has raised USD 143 million in a financing round led by Andreessen Horowitz and WuXi AppTec.

⚬ In April 2020, Macromoltek, Inc. has stated that its computational de novo design is capable of speeding up the development of human monoclonal antibodies that can be used for the potential treatment of COVID-19.

COMPUTER SIMULATED DRUG DISCOVERY MARKET - MOST ADOPTED STRATEGIES OF LEADING COMPANIES,

GLOBAL, 2019

Agreements and CollaborationsProduct Launches and UpdatesPatents and ApprovalsMergers and AcquisitionsBusiness Expansions

45%

24%

17%

9%

5%

Competitive Landscape | 266.2 | Market Share Analysis

COMPUTER SIMULATED DRUG DISCOVERY MARKET – COMPANY SHARE

ANALYSIS, 2019

• The global Computer Simulated (In-Silico) Drug Discovery market is a Fairly fragmented with a large number of regional players especially in the developing countries of Asia-Pacific region

• The markets in the North America as well as in Europe are more or less consolidated with few major players amidst high level of competition between them.

• Globally, over 33% of the In-Silico Drug Discovery market is attributed to five major players which are headquartered in US or Europe. These recognized players include Charles River, WuXi AppTec, and Evotech

• Key players are also expanding their reign globally through R&D cooperation, mergers, acquisitions and geographic expansion.

• Albany Molecular Research Inc, Simulation Plus, Dassault Systems, and Selvita are some of the emerging companies in the global in-silico drug discovery market

Other CompaniesCharles RiverWuXi App TechEvotech

70%

13%

12%

5%

CompanyProfi les

7.1 Novo Informatics7.2 SWOT Analysis

Company Profiles | 287.1 | Novo Informatics

PARTICULARS DESCRIPTION

Company Name Novo Informatics Pvt. Ltd

Headquarters India

Year of Establishment 2011

Number of Employees ~50-100

• Novo Informatics (NI) was established in 2011 and headquartered in Delhi, India

• Novo Informatics is a Life Science based R&D Company that develop Biological Software for Pharmaceutical & Biotechnology companies.

• The company also offers services for research academics as well as serving clients in the area of target modeling and drug discovery.

• The company has long standing SCFBio tradition of producing state-of-the-art technologies for research communities and pharmaceutical companies for the whole process Drug Discovery.

• Novo Informatics provides comprehensive services including Target Modeling, v-HT molecule screening, Hits molecules identification, Hits to lead optimization and Molecule synthesis.

• The company focuses on Target Modeling & Lead Molecule Designing for diseases. • It also provides standalone services and comprehensive solutions including complete

customizations based on the client’s research activities.• Some of the competitors to NI in drug discovery market are Albany Molecular Research Inc.,

Charles River, Collaborative Drug Discovery Inc., and Novo Informatics Pvt. Ltd., and others.

Company Profiles | 297.1 | Novo Informatics

PRODUCT CLIENTS DBCRU Natural Therapy

India

The Oxford College of

Engineering

Vyome Biosciences

Kumaun University

Thapar University

SERVICE CLIENTS

M.Biotech Unlimited

Adhere Pharmaceuticals Ellis Fischel

National Bureau of Fish Genetic

Resources

PARTNERS IIT Delhi and Delhi University

Super Computing

Facility for Bio Informatics and Computational

Biology

Department of Biotechnology

India

Kilitch Estro Biotech Pvt. Ltd. BIRAC

Kavan Life and Computing Pvt.

Ltd.

INVENTUS

Biologics Small Molecule Discovery Pharmacokinetics

Company Profiles | 307.2 | SWOT Analysis

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