Molecular Design Concepts And Applications Pdf
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Molecular Design
Author: Gisbert Schneider
language: en
Publisher: John Wiley & Sons
Release Date: 2008-02-26
This first introductory-level textbook on the design of small molecules is written with the first-time user in mind. Aimed at students and scientists alike, it uses computer-based methods to design and analyze such small molecules as drugs, enzyme inhibitors, probes and markers for biomolecules. Both authors have extensive practical experience of modeling and design and share their knowledge of what can and cannot be done with computer-assisted design. Divided into four sections, the book begins with a look at molecular objects and design objectives, including molecular geometry, properties, recognition and dynamics. Two further sections deal with virtual synthesis and screening, while the final section covers navigation in chemical space. The result is a textbook that takes the modeler one step further, to the de novo design of functional molecules. With its study questions at the end of each learning unit, this is equally suitable for teaching and self-learning.
Molecular Design and Applications of Photofunctional Polymers and Materials
Author: Wai-Yeung Wong
language: en
Publisher: Royal Society of Chemistry
Release Date: 2012-09-30
Functional organic and organometallic polymers and materials have gained much attention as versatile materials for energy interconversions and optoelectronic/photonic applications, including electrical energy generation in photovoltaic cells and light generation in organic light-emitting diodes, as they offer a low cost, light weight and simple option for device fabrication. Molecular Design and Applications of Photofunctional Polymers and Materials, presents a critical perspective of the current field, with emphasis on fundamental concepts and current applications in optoelectronics, electronics and nanotechnology. The book also covers photochemically degradable polymers, electrochromic and photochromic materials, biosensing and bioimaging materials, and low- and high-refractive index materials. With contributions from leading experts in the field, this timely book will provide a valuable contribution to the community enabling new synthetic methods to be developed to produce new materials with specific functional roles.
Advanced Concepts and Applications
Author: Fidele Ntie-Kang
language: en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date: 2021-11-22
Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.