Practical Chemoinformatics by Muthukumarasamy Karthikeyan, Visit Amazon's Renu Vyas Page,

By Muthukumarasamy Karthikeyan, Visit Amazon's Renu Vyas Page, search results, Learn about Author Central, Renu Vyas,

Chemoinformatics is supplied to affect our lifestyles in a major approach mostly within the fields of chemical, scientific and fabric sciences. This e-book is a made from a number of years of expertise and keenness for the topic written in an easy lucid variety to draw the curiosity of the coed neighborhood who desire to grasp chemoinformatics as a profession. the themes selected disguise the total spectrum of chemoinformatics actions (methods, facts and tools). The algorithms, open resource databases, tutorials assisting thought utilizing typical datasets, guidance, questions and do it your self workouts will make it beneficial to the tutorial study neighborhood. even as each bankruptcy devotes a bit on improvement of recent software program instruments suitable for the becoming pharmaceutical, high quality chemical substances and lifestyles sciences undefined. The ebook is meant to help newcomers to hone their abilities and in addition represent an enticing interpreting for the experts.

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A Primer on QSAR/QSPR Modeling. Fundamental Concepts by Kunal Roy

By Kunal Roy

This short is going again to fundamentals and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that signify predictive types derived from the applying of statistical instruments correlating organic task (including healing and poisonous) and homes of chemical substances (drugs/toxicants/environmental toxins) with descriptors consultant of molecular constitution and/or houses. It explains how the sub-discipline of Cheminformatics is used for lots of purposes equivalent to chance evaluate, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, merely, how QSARs and comparable chemometric instruments are largely interested in medicinal chemistry, environmental chemistry and agricultural chemistry for score of strength compounds and prioritizing experiments. at this time, there's no usual or introductory ebook to be had that introduces this crucial subject to scholars of chemistry and pharmacy. With this in brain, the authors have rigorously compiled this short with the intention to offer a radical and painless advent to the basic thoughts of QSAR/QSPR modelling. The short is geared toward beginner readers.

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Mathematik in der Chemie by Karl Jug

By Karl Jug

Karl Jug hat dieses Buch für Chemiestudenten nach dem Diplomvorexamen geschrieben. Es baut auf die Grundvorlesung "Mathematik für Chemiker" auf. Das Interesse an mathematischen Methoden ist seit Erscheinen der ersten Auflage nicht nur in der Technischen und Theoretischen Chemie wesentlich stärker geworden. Der Autor hat deshalb die Darstellung durch anschauliche Beispiele und Übungsaufgaben erweitert und so das Selbststudium erleichtert. In der zweiten Auflage ist der Integralteil der Vektoranalyse vervollständigt, und Generatoren in der Gruppentheorie und numerische Lösungsmethoden bei Differentialgleichungen sind neu hinzugekommen. Ein umfangreicher Anhang mit Lösungen für die Übungen ergänzt die Darstellung.

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