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Handbook

The Biochemical Algorithms Library (BALL) provides an object-oriented C library for structural bioinformatics, and its capabilities include molecular mechanics, support for reading and writing a variety of file formats, protein–ligand scoring, docking, and QSAR modeling. The Chemistry Development Kit (CDK) is a cheminformatics toolkit written in Java. Xii An Introduction to Chemoinformatics One characteristic of chemoinformatics is that the methods must generally be applicable to large numbers of molecules; this has been one of the principles that we have used when deciding what to include in this book. Our emphasis is on the computer manipulation of two- and three-dimensional chemical.

Book Review

Molecular Descriptors for Chemoinformatics (2nd ed.). By Roberto Todeschini and Viviana Consonni.

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