Artificial Intelligence in Drug Discovery and Development
暫譯: 藥物發現與開發中的人工智慧

本書全面探討人工智慧（AI）如何改變藥物發現與開發的每一個階段——從最初的藥物靶點識別到臨床試驗和監管批准。書中深入探討AI如何用於篩選化合物、預測毒性、個性化治療計劃，甚至發現現有藥物的新用途。每一章都呈現了真實案例研究、當前研究趨勢，以及將AI整合進傳統藥物流程中的挑戰，包括數據質量、倫理問題和監管障礙。本書為研究人員、學生、醫療專業人員和行業領袖而寫，結合了前沿的科學見解與實用應用。

Khalid Shaikh is the founder and CEO of Prognica Labs, a healthtech company. Prognica Labs is focused on revolutionizing the healthcare sector through artificial intelligence and advanced analytics, particularly in the early detection of diseases. His work is centered around leveraging technology to improve patient outcomes, reduce healthcare costs, and make advanced diagnostic tools more accessible to a broader population. Khalid Shaikh is serial entrepreneur, researcher, author, and business strategist. He is also a member of HBR Advisory Council and has received numerous awards for his innovations and contribution in healthcare and public health. In addition to his professional commitments, he also gives back to the aspiring entrepreneur community by serving as an advisor and mentor. He has published and lectured extensively on healthcare performance improvement, digitalization, and innovation.

Dr. Rohit Thanki is a Senior AI Researcher and Data Scientist with over fifteen years of academic and industry research experience, and more than eight years specifically focused on AI-powered medical technologies. He is currently based in Wolfsburg, Germany, where he develops and leads regulatory-compliant AI solutions for healthcare diagnostics, medical image analysis, and clinical decision support. His work spans multiple domains including cancer diagnostics, orthopaedic rehabilitation, signal processing, and Software as a Medical Device (SaMD) development. Dr. Thanki has held key positions in AI R&D leadership, including as Head of Research and Development at Prognica Labs in Dubai, where he spearheaded AI-based breast cancer screening technologies, and as a Senior Data Scientist at KRiAN GmbH in Germany, focusing on AI for orthopaedic diagnostics & rehabilitation. His work involves the end-to-end development of machine learning and computer vision models, including their validation under international regulatory frameworks such as CE marking, ISO 13485, and ISO 62304. In addition to his industrial roles, he serves as an active academic supervisor, currently guiding Ph.D. research in AI and medical imaging, and mentoring thesis projects at German and Indian universities. An accomplished author and researcher, Dr. Thanki has published over 100 Scopus-indexed research papers and more than 50 articles in Web of Science-indexed journals. He has also written or co-authored over 25 academic books with leading publishers such as Springer Nature, CRC Press, and Elsevier. His books cover key areas, including AI in cancer diagnosis, medical image security, the Internet of Medical Things (IoMT), and explainable AI in medicine. Several of his publications are part of prestigious Springer series including SpringerBriefs in Electrical and Computer Engineering, Signals and Communication Technology, and Biomedical Engineering. His contributions have been widely recognized: he was honored with the Transformational Leadership Award in 2021 (Dubai) for the best deployment of machine learning in healthcare, and he has received multiple Best Paper awards in international conferences. As a recognized thought leader, Dr. Thanki has delivered expert talks and keynote lectures at institutions and international events on topics such as medical image AI, clinical NLP, and SaMD development. He also actively serves as a session chair and technical committee member in global conferences. Dr. Thanki is a Senior Member of IEEE, a member of the German Society for Artificial Intelligence in Medicine, and the German AI Association. He serves on the editorial boards of BMC Digital Health and Humanities and Social Sciences Communications (Springer Nature) and is a frequent reviewer for top-tier journals such as IEEE Transactions on Biomedical and Health Informatics, Elsevier's Computers in Biology and Medicine, and Springer's Artificial Intelligence Review. With his deep understanding of both technical AI development and global regulatory landscapes, Dr. Rohit Thanki is uniquely positioned to guide innovators and professionals through the complexities of medical technology (MedTech) compliance. His work bridges science, technology, regulation, and practice, making him an authoritative voice for this practical guide to navigating the MedTech regulatory maze.

Affaan Shaikh is the Founder and CEO of Neuratia Labs, an AI-powered neurotechnology company. With a background in robotics and automation engineering, he specializes in developing innovative solutions that integrate artificial intelligence with neuroscience to enhance brain health and cognitive performance. His expertise spans multiple domains, including AI engineering, neuroscience, and software development. He has contributed to projects focusing on real-time fatigue detection, brainwave monitoring, and cognitive enhancement tools applicable in sectors such as healthcare, aviation, law enforcement, and elderly care.

Khalid Shaikh 是 Prognica Labs 的創辦人兼執行長，這是一家健康科技公司。Prognica Labs 專注於通過人工智慧和先進分析技術來革新醫療行業，特別是在疾病的早期檢測方面。他的工作重點在於利用技術改善病患的治療結果、降低醫療成本，並使先進的診斷工具對更廣泛的人群更具可及性。Khalid Shaikh 是一位連續創業家、研究者、作家和商業策略家。他也是 HBR 諮詢委員會的成員，並因其在醫療和公共衛生領域的創新和貢獻而獲得多項獎項。除了專業承諾外，他還通過擔任顧問和導師回饋給有志於創業的社群。他在醫療績效改善、數位化和創新方面發表了大量著作並進行了廣泛的演講。

Dr. Rohit Thanki 是一位資深 AI 研究員和數據科學家，擁有超過十五年的學術和行業研究經驗，其中超過八年專注於 AI 驅動的醫療技術。他目前居住在德國沃爾夫斯堡，負責開發和領導符合監管要求的 AI 解決方案，應用於醫療診斷、醫學影像分析和臨床決策支持。他的工作涵蓋多個領域，包括癌症診斷、骨科康復、信號處理和醫療設備軟體（SaMD）開發。Dr. Thanki 在 AI 研發領域擔任過重要職位，包括在杜拜的 Prognica Labs 擔任研發部門負責人，主導基於 AI 的乳腺癌篩檢技術，以及在德國的 KRiAN GmbH 擔任資深數據科學家，專注於骨科診斷和康復的 AI 應用。他的工作涉及機器學習和計算機視覺模型的端到端開發，包括在國際監管框架下的驗證，如 CE 標記、ISO 13485 和 ISO 62304。除了工業角色外，他還擔任活躍的學術指導，目前指導 AI 和醫學影像的博士研究，並在德國和印度的多所大學指導論文項目。作為一位成功的作家和研究者，Dr. Thanki 已發表超過 100 篇 Scopus 索引的研究論文，以及在 Web of Science 索引的期刊上發表超過 50 篇文章。他還與知名出版社如 Springer Nature、CRC Press 和 Elsevier 合著或編寫了超過 25 本學術書籍。他的書籍涵蓋關鍵領域，包括癌症診斷中的 AI、醫學影像安全、醫療物聯網（IoMT）以及醫學中的可解釋 AI。他的多篇出版物是知名的 Springer 系列的一部分，包括電氣與計算機工程的 SpringerBriefs、信號與通信技術以及生物醫學工程。他的貢獻得到了廣泛的認可：他在 2021 年（杜拜）獲得了轉型領導獎，以表彰其在醫療領域最佳的機器學習應用，並在國際會議上獲得多項最佳論文獎。作為一位公認的思想領袖，Dr. Thanki 在機構和國際活動中就醫學影像 AI、臨床自然語言處理和 SaMD 開發等主題發表了專家演講和主題演講。他還在全球會議中擔任會議主席和技術委員會成員。Dr. Thanki 是 IEEE 的資深會員，也是德國醫學人工智慧學會和德國人工智慧協會的成員。他擔任 BMC Digital Health 和 Humanities and Social Sciences Communications（Springer Nature）的編輯委員會成員，並經常為 IEEE Transactions on Biomedical and Health Informatics、Elsevier 的 Computers in Biology and Medicine 和 Springer's Artificial Intelligence Review 等頂級期刊進行審稿。憑藉對技術 AI 開發和全球監管環境的深刻理解，Dr. Rohit Thanki 獨特地定位於指導創新者和專業人士應對醫療技術（MedTech）合規的複雜性。他的工作橋接了科學、技術、法規和實踐，使他成為這本實用指南的權威聲音，幫助讀者導航 MedTech 監管迷宮。

Affaan Shaikh 是 Neuratia Labs 的創辦人兼執行長，這是一家 AI 驅動的神經科技公司。擁有機器人和自動化工程的背景，他專注於開發將人工智慧與神經科學相結合的創新解決方案，以增強大腦健康和認知表現。他的專業涵蓋多個領域，包括 AI 工程、神經科學和軟體開發。他參與了專注於實時疲勞檢測、腦波監測和認知增強工具的項目，這些工具可應用於醫療、航空、執法和老年護理等行業。