Computer-Aided and Machine Learning-Driven Drug Design: From Theory to Applications (電腦輔助與機器學習驅動的藥物設計：從理論到應用)
Maltarollo, Vinícius Gonçalves
- 出版商: Springer
- 出版日期: 2025-02-27
- 售價: $7,820
- 貴賓價: 9.5 折 $7,429
- 語言: 英文
- 頁數: 557
- 裝訂: Hardcover - also called cloth, retail trade, or trade
- ISBN: 3031767179
- ISBN-13: 9783031767173
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相關分類:
Machine Learning
尚未上市，無法訂購
相關主題
商品描述
The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them. Indeed, pharmaceutical industries and large academic groups rely on a broad range of professionals, including chemists, biologists, pharmacists, and computer scientists. In this sense, it is difficult to be an expert in every single CADD approach. Furthermore, there are well-established methods that are constantly revisited, and novel approaches are introduced, such as machine-learning based scoring functions for molecular docking.
This book provides an organized update of the most commonly employed CADD techniques, as well as successful examples of actual applications to develop bioactive compounds/drug candidates. Also includes is a section of case studies that cover certain pharmacological/target classes, focusing on the applications of the previously described methods. This part will especially appeal to professionals who are not as interested in the theoretical aspects of CADD.
This is an ideal book for students, researchers, and industry professionals in the fields of pharmacy, chemistry, biology, bioinformatics, computer sciences, and medicine who are seeking a go-to reference on drug design and medicinal chemistry.
商品描述(中文翻譯)
電腦輔助藥物設計（CADD）研究領域包含多個不同的知識領域，研究人員通常僅熟悉或具備其中一小部分的經驗。事實上，製藥產業和大型學術團隊依賴於各種專業人士，包括化學家、生物學家、藥劑師和計算機科學家。在這個意義上，成為每一種 CADD 方法的專家是困難的。此外，還有一些已經建立的技術不斷被重新檢視，並且引入了新的方法，例如基於機器學習的分子對接評分函數。
本書提供了最常用的 CADD 技術的有組織更新，以及成功應用於開發生物活性化合物/藥物候選者的實際案例。書中還包括了一部分案例研究，涵蓋特定的藥理學/靶點類別，重點介紹前述方法的應用。這部分內容特別吸引那些對 CADD 理論方面不太感興趣的專業人士。
這本書是藥學、化學、生物學、生物資訊學、計算機科學和醫學領域的學生、研究人員和業界專業人士的理想參考書，適合尋求藥物設計和藥物化學的權威參考資料。
作者簡介
Vinícius Gonçalves Maltarollo is a Professor of Medicinal Chemistry at the Faculty of Pharmacy, Federal University of Minas Gerais in Brazil since 2016. Before that, he taught several other disciplines related to biology/pharmacy for more than 10 years to high school and undergraduate students. In terms of education, he is a Pharmacist (University of ABC, Brazil, 2006). He earned a Master of Science degree (2009) and a PhD (2013) in Chemistry, both from the Federal University of ABC in Brazil. Furthermore, he completed his postdoctoral research at the University of São Paulo (2013-2015), and was a visiting researcher at the Eberhard-Karls Universität Tübingen in Germany (2022). To date, he has published more than 70 research and review articles in peer-reviewed scientific journals with a focus on Computer-Aided Drug Design (CADD) and 3 book chapters. Finally, he is a reviewer for more than 30 scientific periodicals withmore than 120 revisions completed.
作者簡介(中文翻譯)
Vinícius Gonçalves Maltarollo 自2016年以來擔任巴西米納斯吉拉斯聯邦大學藥學院的藥物化學教授。在此之前，他在高中和大學階段教授與生物學/藥學相關的多個學科，累計超過10年。就教育背景而言，他是藥劑師（巴西ABC大學，2006年）。他於2009年獲得科學碩士學位，並於2013年獲得化學博士學位，兩者均來自巴西ABC聯邦大學。此外，他於2013年至2015年在聖保羅大學完成博士後研究，並於2022年在德國圖賓根大學擔任訪問研究員。至今，他已在同行評審的科學期刊上發表超過70篇研究和綜述文章，專注於計算輔助藥物設計（CADD），並撰寫了3章書籍。最後，他擔任超過30本科學期刊的審稿人，已完成超過120次的審稿工作。
