1st Edition

Artificial Intelligence in Bioinformatics and Chemoinformatics

    274 Pages 48 Color & 13 B/W Illustrations
    by CRC Press

    274 Pages 48 Color & 13 B/W Illustrations
    by CRC Press

    The authors aim to shed light on the practicality of using machine learning in finding complex chemoinformatics and bioinformatics applications as well as identifiying AI in biological and chemical data points. The chapters are designed in such a way that they highlight the important role of AI in chemistry and bioinformatics particularly for the classification of diseases, selection of features and compounds, dimensionality reduction and more. In addition, they assist in the organization and optimal use of data points generated from experiments performed using AI techniques. This volume discusses the development of automated tools and techniques to aid in research plans.


    • Covers AI applications in bioinformatics and chemoinformatics
    • Demystifies the involvement of AI in generating biological and chemical data
    • Provides an Introduction to basic and advanced chemoinformatics computational tools
    • Presents a chemical biology based toolset for artificial intelligence usage in drug design
    • Discusses computational methods in cancer, genome mapping, and stem cell research

    1. Bridging Bioinformatics and Chemoinformatics Approaches in Public Databases
    Shama Mujawar, Manas Joshi, Aarohi Deshpande, Aarohi Gherkar, Shreyash Kolhe, Bhupendra Golpalbhai Prajapati

    2. An Introduction to Basic and Advanced Chemoinformatics Computational Tools
    Surovi Saikia, Aparna A, Mohammed Unais AK, Yashwant V. Pathak, V.Vijaya Padma

    3. An Introduction to Basic and Advanced Bioinformatics Computational Tools
    Jay R. Anand, Manishkumar S. Patel, Manish Shah, Bhavinkumar Gayakvad, Dignesh Khunt

    4. Computational Methods in Cancer, Genome Mapping and Stem Cell Research
    Sudha Vengurlekar, Piyush Trivedi, Harshada Shewale, Rushabh Desarda, Bhupendra Gopalbhai Prajapati

    5. Using Chemistry to Understand Biology : Graphs Theories, Biological Networks
    Mayank Bapna, Dhruv R. Parikh, Sumita Bardhan, Bhupendra Gopalbhai Prajapati

    6. Chemical Biology Based Toolset for Artificial Intelligence Usage In Drug Design
    Ashutosh Agarwal, Parixit Prajapati, Bhupendra Gopalbhai Prajapati

    7. Machine Learning and Data Mining: Uses and Challenges in Bioinformatics
    Muhasina K.M, Puja Ghosh, Akey Krishna Swaroop, Jubie Selvaraj, Bhupendra Gopalbhai, Prajapati, B. Duraisway, Dhanabal Palaniswamy

    8. Application of Deep Learning In Chemistry and Biology
    Priya Patel, Vaishali Thakkar, Saloni Dalwadi, Prexita Patel, Kevinkumar Garala, Bhupendra Golpabhai Prajapati

    9. Text Mining in Chemistry for Organizing Chemistry Data
    Unnati Patel, Prajesh Prajapati, Dharmendrasinh Bariya, Jigna Prajapati

    10. CNN Used in Virtual Screening
    Bhargav Chandegra, Prajesh Prajapati, Jigna Prajapati

    11. Machine Learning in Improving Force Fields of Molecular Dynamics
    Virupaksha A. Bastikared; Alpana V. Bastikared; Varun Talatied; Bhupendra Golpalbhai Prajapati

    12. Defining the Role of Chemical and Biological Data and Applying Algorithms thereof
    Priya Patel, Kevinkumar Garala, Mihir Raval

    13. Optimization and Quantification of Uncertainty in Machine Learning
    Shama Mujawar, Atharva Tikhe, Bhupendra Prajapati


    Dr. Yashwant Pathak has over 9 years of versatile administrative experience in an academic setting as Dean (and over 17 years as faculty and as a researcher in higher education after his Ph.D) and has worked in student admission, academic affairs, research, graduate programs, Chair of the International Working group for USF Health (consisting of USF Medical, Nursing, Public Health, Pharmacy and Physiotherapy colleges), Director of Nano Center and now holds the position for Associate Dean for Faculty Affairs. Dr. Yash Pathak is an internationally recognized scholar, researcher and educator in the areas of Health care education, Nanotechnology, Drug Delivery Systems and Nutraceuticals. Dr Pathak has edited several books in the field of Nanotechnology (Springer) and Drug Delivery Systems (CRC Press), Antibody mediated drug delivery systems (John Wiley and Sons) and in the field of Nutraceuticals (Taylor and Francis), Artificial neural network(Elsevier) and conflict resolution and cultural studies, with over 300 research publications, reviews, chapters, abstracts and articles in educational research. He has authored many popular articles published in newspapers and magazines. He fluently speaks many languages and was trained and taught in English all through his career.

    Dr. Surovi Saikia works as a Dr. DS Kothari Postdoctoral Fellow at the Department of Biotechnology, Bharathiar University, Coimbatore. She has completed her Ph.D (Bioinformatics) from Dibrugarh University, Assam in 2020 and UG and PG from Tinsukia college and Dibrugarh University. She has 8 years of research experience with 18 publications in peer reviewed national and international journals. Currently, she is working on algorithmic based computational work.

    Research Experience

    • Dr. D.S Kothari Postdoctoral Fellow at Bharathiar University, Coimbatore, Tamil Nadu from 23/11/2021 till date.
    • Senior Research Fellow-NFST Fellowship for PhD at CSIR-NEIST, Natural Product Chemistry Group, Jorhat, Assam from 01/06/2018 to 01/10/2020.
    • Junior Research Fellow-NFST Fellowship for PhD at CSIR-NEIST, Natural Product Chemistry Group Jorhat, Assam from 01/06/2016 to 31/05/2018.
    • Project Fellow- at CSIR-NEIST, Natural Product Chemistry Group, Jorhat, Assam from 08/04/2013 to 31/05/2016.
    • DBT-studentship at CSIR-NEIST, Biotechnology Division from 02/07/2012 to 02/01/2013.

    Dr Sarvadaman Pathak 2016 – 2017 Global Clinical Scholars Research and Training Program. Harvard Medical School, Boston MA. A master’s level program which, provides clinicians and clinician-scientists advanced training in the methods and conduct of clinical research. The program also covers data analysis techniques using STATA, and access to datasets from various NIH trials.

    2013 - 2014 Post-Doctoral Fellowship, in Traditional Chinese Medicine with a focus on Integration of Eastern and Western Medicine, Dalian Medical University, Dalian, P.R. China.

    2007 - 2011 Doctor of Medicine (M.D.), Summa Cum Laude, Avalon University

    School of Medicine, Bonaire, Netherlands Antilles (Caribbean Island)

    2004 - 2007 Pre-Medicine/Pre-Pharmacy Track, University of Houston, Houston, TX.

    Professional Experience includes

    2021 – Present Chief Medical Officer, HIPAA compliance officer

    Universiti LLC – A cloud-based healthcare provider focusing on behavioral and mental healthcare delivery using AR/VR and AI technology.

    Dr. Jayvadan Patel is a Formulation Scientist at Aavis Pharmaceuticals, USA and Professor Emeritus, Faculty of Pharmacy, Sankalchand University, India. He has has more than 26 years of research, academic, and industry experience. Dr. Jayvadan has published 270 research papers, presented 52 papers, both in India and abroad, and holds one patent jointly, and three are filed. He has co-authored 20 books and contributed 116 chapters to a book published in the USA. His papers have been cited more than 5200 times, with more than 27 papers getting more than 50 citations each. He has a 35 h-index and 123 i10-index for his credit. Department of Science and Technology, Ministry of Science and Technology, Government of India has published International Comparative Research Base (2009-14) and Dr. Patel has been put in an honors list of 4th Rank of the Top 10 authors in the subject area Pharmacology, Toxicology, and Pharmaceutics. His 16 projects are worth more than Rs. 2.2 Crore are funded by government agencies and industries. He has guided 106 M. Pharm students and mentored 46 Ph.D. scholars and presently guiding 8 more for their doctoral theses. He is already decorated with a dozen awards and prizes, both national and international. He is the recipient of the very prestigious "AICTE-Visvesvaraya Best Teachers Award-2020" by the All India Council for Technical Education, Government of India, and the APTI-young pharmacy teacher award (2014) by the Association of Pharmaceutical Teachers of India. He is a member of many professional bodies/universities/councils and boards.

    Dr. Bhupendra Prajapati is affiliated with the Department of Pharmaceutical Technology of the Faculty of Pharmacy, Ganpat University, Gujarat, India as a professor. He holds a Master’s Degree in Pharmaceutical Technology from the Faculty of Pharmacy, M.S.University of Baroda (2002), and a PhD in Pharmaceutical Sciences from the HNGU, Gujarat, India (2011). He has more than 20 years of academic and research experience, has published more than 100 research and review papers in international and national Journals. He works on the design, development, and characterization of novel drug delivery systems to improve solubility, bioavailabitly and targeitng. Hhe is Associate Editor, member of the Editorial Board, and reviewer of several international scientific journals. He counts with 6 patents and more than 100 scientific publications. He is editor of 9 books and published more than 20 book chapters in the field of drug delivery.