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Showing 1 - 12 of 12 results for “arkaprava banerjee”
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  • Machine Learning and Deep Learning in Drug Design

    Edited by Kunal Roy, Arkaprava Banerjee ...
    Series Book 87 - Drug Discovery Series
    Machine learning (ML) and deep learning (DL) are reshaping the landscape of drug design. This comprehensive volume explores how these technologies are applied across the entire drug discovery pipeline—from target identification and protein structure prediction to virtual screening, pharmacokinetic modelling, and drug repurposing.Bridging cheminformatics, chemometrics, and computational science, ... Read more

    $331.99 CAD

  • Activity Cliffs

    Where QSAR Predictions Fail

    by Kunal Roy, Arkaprava Banerjee ...
    Series series Chemistry and Material Science (R0)
    This brief introduces the readers of predictive cheminformatics to the concept of cliffs in the structure-activity landscape, which may greatly affect the data set modelability and the quality of predictions, hence generating disappointment from the performance of Quantitative Structure-Activity Relationship (QSAR) models. Although QSAR models are based on the assumption of a smooth activity ... Read more

    $64.99 CAD

  • Materials Informatics II

    Software Tools and Databases

    Edited by Kunal Roy, Arkaprava Banerjee ...
    Series series Chemistry and Material Science (R0)
    This contributed volume explores the application of machine learning in predictive modeling within the fields of materials science, nanotechnology, and cheminformatics. It covers a range of topics, including electronic properties of metal nanoclusters, carbon quantum dots, toxicity assessments of nanomaterials, and predictive modeling for fullerenes and perovskite materials. Additionally, the book ... Read more

    $281.99 CAD

  • Materials Informatics III

    Polymers, Solvents and Energetic Materials

    Edited by Kunal Roy, Arkaprava Banerjee ...
    Series series Chemistry and Material Science (R0)
    This contributed volumefocuses on the application of machine learning and cheminformatics in predictive modeling for organic materials, polymers, solvents, and energetic materials. It provides an in-depth look at how machine learning is utilized to predict key properties of polymers, deep eutectic solvents, and ionic liquids, as well as to improve safety and performance in the study of energetic ... Read more

    $281.99 CAD

  • Materials Informatics I

    Methods

    Edited by Kunal Roy, Arkaprava Banerjee ...
    Series series Chemistry and Material Science (R0)
    This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, ... Read more

    $358.99 CAD

  • q-RASAR

    A Path to Predictive Cheminformatics

    by Kunal Roy, Arkaprava Banerjee ...
    Series series Chemistry and Material Science (R0)
    This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It ... Read more

    $64.99 CAD

  • Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment

    Edited by Kunal Roy, Arkaprava Banerjee ...
    Series series Advances in Green and Sustainable Chemistry
    Cheminformatic Modelling and Data Gap Filling for a Green and Sustainable Environment covers the theory and practices of chemical informatics, focusing on modeling various properties and endpoints related to chemicals for improved chemical management and the design of safer chemicals to promote environmental sustainability. Across four sections, the book outlines modeling techniques such as ... Read more

    $219.99 CAD

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  • Introduction to Protein Structure Prediction

    Methods and Algorithms

    by Yi Pan, Albert Y. Zomaya ...
    Series Book 18 - Wiley Series in Bioinformatics
    A look at the methods and algorithms used to predict protein structureA thorough knowledge of the function and structure of proteins is critical for the advancement of biology and the life sciences as well as the development of better drugs, higher-yield crops, and even synthetic bio-fuels. To that end, this reference sheds light on the methods used for protein structure prediction and reveals the ... Read more

    $138.99 CAD

  • Statistical Modelling of Molecular Descriptors in QSAR/QSPR

    by Frank Emmert-Streib ...
    Series series Quantitative and Network Biology
    This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing ... Read more

    $157.99 CAD

  • Formulation Tools for Pharmaceutical Development

    Edited by J E Aguilar ...
    Series series Woodhead Publishing Series in Biomedicine
    A range of new and innovative tools used for preformulation and formulation of medicines help optimize pharmaceutical development projects. Such tools also assist with the performance evaluation of the pharmaceutical process, allowing any potential gaps to be identified. These tools can be applied in both basic research and industrial environment. Formulation tools for pharmaceutical development ... Read more

    $190.99 CAD

  • Scaffold Hopping in Medicinal Chemistry

    by Raimund Mannhold, Hugo Kubinyi, Gerd Folkers ...
    Series Book 58 - Methods & Principles in Medicinal Chemistry
    This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects.The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part ... Read more

    $151.99 CAD

  • Computational and Data-Driven Chemistry Using Artificial Intelligence

    Fundamentals, Methods and Applications

    Edited by Takashiro Akitsu ...
    Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help ... Read more

    $176.99 CAD