Artificial Intelligence for Chemical Sciences: Concepts, Models, and Applications

Chemists are increasingly employing artificial intelligence (AI) for diversified applications. This new volume explores the use of AI and its various computer-aided applications for the design of new drugs and chemical products, for toxicity prediction and biodegradation, and for fault diagnosis in chemical processing plants. The volume explores knowledge and reasoning-based approaches of the field of chemintelligence to make predictions about the right molecules with given structures and properties as precursors or starting materials, reaction pathways, reaction conditions, improvement in reaction efficiency and selectivity, toxicity, metabolism, biodegradation, and more.

Shrikaant Kulkarni, Ph.D., is currently a Research and Technical Advisor at Filantrofia Sarvada CleanTech Pvt. Ltd., Pune, India. Dr. Kulkarni has been a senior academician and researcher for more than four decades. He has delivered invited lectures and conducted sessions at national and international conferences as well as faculty development programs. He has guided many major and minor projects in the subject areas such as engineering chemistry, green chemistry, nanotechnology, analytical chemistry, catalysis, chemical engineering materials, industrial organization, and management. He has published over 100 research papers in national and international journals and conferences of repute. He has authored 45 book chapters in books published by Springer Nature, Apple Academic Press, Elsevier, Wiley, and IET. He has edited twelve books published by Apple Academic Press/CRC Press and Springer Nature. Another ten books are in the offing. He authored four textbooks in engineering chemistry. Dr. Kulkarni holds MSc, MPhil, and PhD degrees in Chemistry in addition to master’s degrees in Economics, Business Management, and Political Science. He has expertise in the fields of materials science, green chemistry and engineering, analytical chemistry, and green nanoscience and nanotechnology. He also has expertise in wastewater treatment, green and analytical chemistry, and advanced areas in chemical engineering and materials science.

Shashikant V. Bhandari, PhD, is working as a Professor at All India Shri Shivaji Memorial Society’s College of Pharmacy, Pune, India. With over 24 years of experience in research and academics, a testament to his commitment to scholarly guidance, Professor Bhandari has mentored over 50 postgraduate students and four PhD research scholars. Dr. Bhandari made a significant impact on the field of pharmaceutical chemistry through his groundbreaking research on various topics, including anti-inflammatories, antioxidants, anti-convulsants, anticancer and anti-HIV drugs, and antiviral and antitubercular agents. He has made over 25 presentations and published over 30 research papers in national and international journals. His papers have been cited at least 870 times. A visionary researcher, Dr. Bhandari also filed two patents for his innovative discoveries. He has been awarded Quality Improvement Programme grants and minor research projects worth more than ＄60,000 US, funded by the AICTE New Delhi and S.P.P. University, Pune, India. Dr. Bhandari has received numerous accolades, including a Best Research Publication Award in 2011 by V Life Science Pvt. Ltd., Pune; and Best Research Mentor International Award (2019. He has attended the International Conference on QSAR and Systems Biology at Uppsala University, Sweden (2008). Moreover, he serves as a reviewer for various international journals.

Dushyant B. Varshney, PhD, is the Chief Technology Officer at Arcturus Therapeutics in USA. He is responsible for Global CMC, Product Development, Technical Operations, and Quality. Dr. Varshney has over 25 years of experience at global bio-pharma organizations, leading the entire product life-cycle of diverse biotech modalities, including mRNA therapeutics, gene and cell-based therapy, biologics, vaccines, and sterile injectables. He has made significant contributions towards 30+ launches and has ensured supply of more than 10B+ doses, totaling over ＄20B in revenues at companies including Gilead, Pfizer, Novartis, and Sanofi. Before joining Arcturus, Dr. Varshney was the Global Head of Manufacturing, Science & Technology at Gilead-Kite. Prior to that, he served as the Vice President and Global Head of Technical Services, Operations and Supply at Jubilant, and as the Head of Manufacturing, Science and Technology at Pfizer, where he led the America, Europe & Asia Pacific teams. At Novartis, he contributed to commercial technology transfer, qualification, and manufacturing of Flucelvax(R) (first US cell-based influenza vaccine), Trivalent & Quadrivalent, pre-pandemic vaccine stockpiles (bird & swine-flu, H5N1, H3N2, H7N9), and pandemic response strategies. Dr. Varshney received his PhD in Chemistry from the University of Iowa, MPharm from the Institute of Chemical Technology, Mumbai, and BPharm from the University of Pune in India. He has made over 120 conference presentations, published over 40 articles and book chapters, and edited the book Lyophilized Biologics & Vaccines, published by Springer. He was recently recognized by Insights Success magazine as a Technophile CTO of the Year 2022 (December) (https: //lnkd.in/gM3NdA8V).

P. William, PhD, is Dean of Research and Development and Assistant Professor in the Department of Information Technology at Sanjivani College of Engineering, Savitribai Phule Pune University, India. He has published many papers in Scopus-indexed journals and IEEE conferences. His field of research includes natural language processing, artificial intelligence, deep learning, machine learning, soft computing, cybersecurity, and cloud computing. He has been associated with numerous multinational companies including IBM, TATA Consultancy Services Limited, etc. and various educational groups. He has served as session chair and keynote speaker at multiple Scopus-indexed international conferences. He was also appointed as a reviewer for reputed Scopus/WOS-indexed journals. He is a member of the Institute of Electrical and Electronics Engineers and Quality Circle Forum of India, among other professional bodies. He received his Bachelor of Engineering in Computer Science and Engineering and Master of Technology in Computer Science and Engineering from CSVTU, Bhilai, India. He completed his PhD in the Department of Computer Science and Engineering in the School of Engineering & Information Technology, MATS University, Raipur, India.