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Table of Contents

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Cover

Title Page

Copyright

Preface Inspiration Knowledge Base Practical Case Studies Continuous Improvement Vision of the Future and Changing the Way We Do Science

Part I: Inspiration 1 The Next Big Developments – The Lab of the Future 1.1 Introduction 1.2 Discussion 1.3 Thoughts on LotF Implementation 1.4 Conclusion References

Part II: Knowledge Base 2 Crucial Software‐related Terms to Understand 2.1 Digital Revolution 2.2 Computers 2.3 Internet 2.4 Cloud Computing 2.5 Computer Platforms 2.6 Applications 2.7 Values of Software 2.8 Software Development 2.9 Software Product Lifecycle 2.10 Software Design 2.11 Software Quality 2.12 Software Integration 2.13 Data‐flow Modeling for Laboratories 2.14 Software Licensing References 3 Introduction to Laboratory Software Solutions and Differences Between Them 3.1 Introduction 3.2 Types of Software Used in Laboratories References 4 Data Safety and Cybersecurity 4.1 Introduction 4.2 Data Safety 4.3 Cybersecurity References 5 FAIR Principles and Why They Matter 5.1 Introduction 5.2 What Is the Value of Making Data FAIR? 5.3 Considerations in Creating Lab‐based Data to Prepare for It to Be FAIR 5.4 The FAIR Guiding Principles Overview References 6 The Art of Writing and Sharing Methods in the Digital Environment 6.1 Introduction 6.2 Tools and Resources for Tracking, Developing, Sharing, and Disseminating Protocols 6.3 Making Your Protocols Public 6.4 The Art of Writing Methods References

Part III: Practical 7 How to Approach the Digital Transformation 7.1 Introduction 7.2 Defining the Requirements for Your Lab 7.3 Evaluating the Current State in the Lab References 8 Understanding Standards, Regulations, and Guidelines 8.1 Introduction 8.2 The Need for Standards and Guidelines 8.3 How Does Digitalization Relate to Standards and Guidelines 8.4 Challenges Related to Digitalization in Certified Laboratories 8.5 Can Digital Strategy be Implemented without Certification? References 9 Interoperability Standards 9.1 SiLA 9.2 AnIML 9.3 Allotrope 9.4 Conclusion 10 Addressing the User Adoption Challenge 10.1 Introduction 10.2 Identify Key Stakeholders and Explain the Reasons for Change 10.3 Establish a Steering Committee 10.4 Define the Project Objectives, Expected Behaviour, and Timeline 10.5 Check for Understanding and Encourage Debate 10.6 Acknowledge Ideas and Communicate Progress 10.7 Provide a Feedback Mechanism 10.8 Set Up Key Experience Indicators and Monitor Progress 10.9 Gradually Expand to a Larger Scale 10.10 Conclusions References 11 Testing the Electronic Lab Notebook and Setting Up a Product Trial 11.1 Introduction 11.2 The Product Trial 11.3 The Importance of a Product Trial 11.4 Setting Up a Product Trial 11.5 Good Practices of Testing a Product 11.6 Conclusions References

Part IV: Case Studies 12 Understanding and Defining the Academic Chemical Laboratory's Requirements: Approach and Scope of Digitalization Needed 12.1 Types of Chemistry Laboratory 12.2 Different Stages of Digitalization 12.3 Preparatory Stage 12.4 Laboratory Stage 12.5 Transferal Stage 12.6 Write‐up Stage 12.7 Conclusions and Final Considerations References 13 Guidelines for Chemistry Labs Looking to Go Digital 13.1 Understanding the Current Setup 13.2 Understanding Your Scientists and Their Needs 13.3 Understanding User‐based Technology Adoption 13.4 Breaking Down the Barriers Between Science and Technology 13.5 Making Your Laboratory Team Understand Why This Is Necessary 13.6 Working with Domain Experts 13.7 Choosing the Right Software 13.8 Changing Attitude and Organization References 14 Electronic Lab Notebook Implementation in a Diagnostics Company 14.1 Making the Decision 14.2 Problems with Paper Notebooks 14.3 Determining Laboratory's Needs 14.4 Testing 14.5 A Decision 14.6 How to Structure the ELN 14.7 Conclusion 15 Identifying and Overcoming Digitalization Challenges in a Fast‐growing Research Laboratory 15.1 Why Going Digital? 15.2 Steps to Introduce ELNs in Lab Practice 15.3 Creating the Mindset of a Digital Scientist 15.4 The Dilemma of Digitalization in Academia 16 Turning Paper Habits into Digital Proficiency 16.1 Five Main Reasons for the Implementation of a Digital System to Manage the Research Data 16.2 The Six‐step Process of Going from Paper to Digital 16.3 Onboarding All Team Members and Enhancing the Adoption of the New Technology in the Lab 16.4 Benefits of Switching from Paper to Digital 17 Going from Paper to Digital: Stepwise Approach by the National Institute of Chemistry (Contract Research) 17.1 Presentation of our CVTA Laboratory 17.2 Data Management Requirements Explained in Detail 17.3 Going from Paper to Digital 17.4 Implementation of SciNote (ELN) to CVTA System 17.5 Suggestions for Improvements and Vision for the Future References 18 Wet Lab Goes Virtual: In Silico Tools, ELNs, and Big Data Help Scientists Generate and Analyze Wet‐lab Data 18.1 CRISPR‐Cas9 Explained 18.2 Introduction of the Digital Solutions and ELN into the Laboratory 18.3 The Role of the ELN and In Silico Tools in the Genome‐editing Process 18.4 The Role of the ELN and In Silico Tools in the Protein Design Process References Note 19 Digital Lab Strategy: Enterprise Approach 19.1 Motivation 19.2 Designing a Flexible and Adaptable Architecture 19.3 There is Only One Rule: No Rules 19.4 The Lab Digitalization Program Compass 19.5 Conclusion References

Part V: Continuous Improvement 20 Next Steps – Continuity After Going Digital 20.1 Are You Ready to Upgrade Further? 20.2 Understanding the Big Picture 20.3 What to Integrate First? 20.4 Budgeting 20.5 Continuous Improvement as a Value References

10  Part VI: Vision of the Future and Changing the Way We Do Science 21 Artificial Intelligence (AI) Transforming Laboratories 21.1 Introduction to AI 21.2 Artificial Intelligence in Laboratories 21.3 Process Monitoring 21.4 Discussion – Human in the Loop References 22 Academic's Perspective on the Vision About the Technology Trends in the Next 5–10 Years 22.1 Hybrid Solutions 22.2 Voice Technologies 22.3 Smart Assistants 22.4 Internet of Things 22.5 Robot Scientists 22.6 Making Science Smart – Incorporating Semantics and AI into Scientific Software 22.7 Conclusions References 23 Looking to the Future: Academic Freedom Versus Innovation in Academic Research Institutions 23.1 Introduction 23.2 Corporate Culture Versus Academic Freedom 23.3 Spoiled for Choice, but Still Waiting for the Perfect Solution 23.4 Building a Single, Shared Infrastructure for Research Data Management 23.5 A Journey of a Thousand Miles Begins with a Single Step Reference 24 Future of Scientific Findings: Communication and Collaboration in the Years to Come 24.1 Preprints: Reversing the Increased Time to Publish 24.2 Virtual Communities 24.3 Evolving Publishing Models 24.4 Funders Are Starting to Play a Role in Facilitating and Encouraging Rapid Sharing and Collaboration 24.5 Conclusion References 25 Entrepreneur's Perspective on Laboratories in 10 Years 25.1 Data Recording 25.2 Recognition of Voice and Writing 25.3 Data Recording in the Future 25.4 Experimental Processes 25.5 Research Project Management 25.6 Experimental Planning 25.7 Virtual Reality 25.8 Smart Furniture 25.9 Experiment Execution 25.10 Laboratory Automation Trends 25.11 Cloud Laboratories 25.12 Data Analysis Trends 25.13 Artificial Intelligence 25.14 Data Visualizations and Interpretation 25.15 Databases 25.16 Conclusion References

11  Index

12  End User License Agreement

Digital Transformation of the Laboratory

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