Tag: Chemoinformatics

Free Download Valerie J. Gillet, "An Introduction to Chemoinformatics"
English | 2007 | pages: 259 | ISBN: 1402062907, 1402013477 | PDF | 5,5 mb
This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Free Download Ethical Issues in AI for Bioinformatics and Chemoinformatics
English | 2024 | ISBN: 103239658X | 224 Pages | PDF (True) | 33 MB
This unique volume presents AI in relation to ethical points of view in handling big data sets. Issues such as algorithmic biases, discrimination for specific patterns and privacy breaches may sometimes be skewed to affect research results so that certain fields to appear more appealing to funding agencies. The discussion on the ethics of AI is highly complex due to the involvement of many international stakeholders such as the UN, OECD, parliaments, industry groups, professional bodies, and individual companies. The issue of reliability is addressed including the emergence of synthetic life, 5G networks, intermingling of human artificial intelligence, nano-robots and cyber security tools.

Free Download Artificial Intelligence in Bioinformatics and Chemoinformatics
by Yashwant V. Pathak; Surovi Saikia; Sarvadaman Pathak; Jayvadan Patel; Bhupendra Gopalbhai Prajapati
English | 2023 | ISBN: 1032396571 | 275 pages | True PDF | 30.88 MB
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.