Computer-Aided Molecular Design Theory and Applications pdf

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Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download. The originality of this book is to train undergraduates, who have grown up during the computer revolution, in the core parts of those computer tools intended to help chemists, with graphics assistance, in handling molecular representations. The goal is complex, as there is an important synergy in the creative design of molecules or properties between the fundamental theories of chemistry and their computational extensions.

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

This duality, felt constantly through the last thirty years, has led to immense progress thanks to major developments in both chemical informatics and computational chemistry. The authors, well known actors in this transformation of chemistry, have identified in a single book the foundations of the modelling and design successes in chemistry. Their aim is to teach some crucial components both in the computer field and in theoretical chemistry, often closely linked in CAMD. The two authors, who have participated in the deployment of CAMD, have identified and selected, with talent and efficiency, its fundamental elements.

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

Their teaching is clear with alternate explanations and applications. The task was not simple, as these elements are shadowed by the progress of the information revolution and the rapid advances of molecular modelling. The synergy of these actions often obscures the identification of those basic components essential for an up to date course. Thus, Computer Aided Molecular Design (CAMD) is identified as a mature discipline. The theoretical and practical aspects of its potential and of its basic tenets are described.

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

Applications are chosen to underline the power of various CAMD strategies. There are many reasons for such a course at the undergraduate level. Students are usually familiar with the information revolution, and they know that the rapid evolution of science and technology makes it imperative to acquire generalized training enabling them to deal with many changes in their active life.

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

Computer-Aided Molecular Design Theory and Applications by Jean-Pierre Doucet and Jacques Weber pdf download

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