Drug Design using Machine Learning

Inamuddin, PhD, is an assistant professor at King Abdulaziz University, Jeddah, Saudi Arabia, and is also an assistant professor in the Department of Applied Chemistry, Aligarh Muslim University, Aligarh, India. He has extensive research experience in multidisciplinary fields of analytical chemistry, materials chemistry, electrochemistry, renewable energy, and environmental science. He has published about 190 research articles in various international scientific journals, 18 book chapters, and edited 60 books. Tariq Altalhi is Head of the Department of Chemistry and Vice Dean of Science College at Taif University, Saudi Arabia. He received his PhD from the University of Adelaide, Australia in 2014. His research interests include developing advanced chemistry-based solutions for solid and liquid municipal waste management, converting plastic bags to carbon nanotubes, and fly ash to efficient adsorbent material. Jorddy Neves Cruz is a researcher at the Federal University of Pará and the Emilio Goeldi Museum, Brazil. He has experience in multidisciplinary research in the areas of medicinal chemistry, drug design, extraction of bioactive compounds, extraction of essential oils, food chemistry, and biological testing. Moamen Salah El-Deen Refat is a professor of Inorganic Chemistry at the Department of Chemistry Science at Taif University, Saudi Arabia. He has received multiple prizes such as the Distinguished Researcher Award, Taif University from 2009-2021, Gold Medal Telesio-Galilei Academy of Science for pioneering work in chemistry in 2013, and the Arab Prize in Chemistry for Young Arab Researchers in 2010.

• Preface Chapter 1 Molecular Recognition and Machine Learning to Predict Protein-Ligand InteractionsChapter 2 Machine Learning Approaches to Improve Prediction of Target-Drug InteractionsChapter 3 Machine Learning Applications in Rational Drug DiscoveryChapter 4 Deep Learning for the Selection of Multiple AnalogsChapter 5 Drug Repurposing Based on Machine LearningChapter 6 Recent Advances in Drug Design with Machine LearningChapter 7 Loading of Drugs in Biodegradable Polymers Using Supercritical Fluid TechnologyChapter 8 Neural Network for Screening Active Sites on ProteinsChapter 9 Protein Redesign and Engineering Using Machine LearningChapter 10 Role of Transcriptomics and Artificial Intelligence Approaches for the Selection of Bioactive CompoundsChapter 11 Prediction of Drug Toxicity Through Machine LearningChapter 12 Artificial Intelligence for Assessing Side EffectsIndex