By Kunal Roy,Supratik Kar,Rudra Narayan Das
This short is going again to fundamentals and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that characterize predictive versions derived from the applying of statistical instruments correlating organic task (including healing and poisonous) and houses 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 plenty of functions similar to possibility evaluate, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, in simple terms, how QSARs and comparable chemometric instruments are broadly taken with medicinal chemistry, environmental chemistry and agricultural chemistry for rating of strength compounds and prioritizing experiments. at the moment, there's no commonplace 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 which will offer a radical and painless advent to the elemental recommendations of QSAR/QSPR modelling. The short is aimed toward amateur readers.
Read Online or Download A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science) PDF
Best physical & theoretical chemistry books
Company schooling in rising marketplace Economies discusses the influence of commercial schooling on rising markets and explores curricular innovation, pedagogical techniques, and strategic alliances within the context of industrializing economies. rising markets include eighty% of the world's inhabitants and a few seventy five% of its alternate progress within the foreseeable destiny, based on the U.
Supramolecular chemistry is ‘chemistry past the molecule’ - the chemistry of molecular assemblies and intermolecular bonds. it really is one among today’s quickest transforming into disciplines, crossing a number of topics from organic chemistry to fabrics technological know-how; and from synthesis to spectroscopy. Supramolecular Chemistry is an updated, built-in textbook that tells the newcomer to the sector every thing they should recognize to start.
This broad reference/text explores the foundations, instrumentation, techniques, and courses of pharmaceutical good technology in addition to new points on one-component structures, micromeritics, polymorphism, solid-state balance, harmony, powder circulation, mixing, unmarried- unit sustained unencumber, and pill coating.
Via offering an utilized and sleek strategy, this quantity might help readers comprehend the price and relevance of learning case reviews and studies on chemical and biochemical sciences. providing a wide-ranging view of present advancements in utilized methodologies in chemical and biochemical physics examine, the papers during this assortment, all written by way of very popular specialists within the box, research a variety of features of chemical and biochemical physics and experimentation.
- Electrokinetic and Colloid Transport Phenomena
- Thermoelectricity and Heat Transport in Graphene and Other 2D Nanomaterials (Micro and Nano Technologies)
- FRET - Förster Resonance Energy Transfer: From Theory to Applications
- Solutions to Selected Problems in A Course in Statistical Thermodynamics
Extra resources for A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science)
A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science) by Kunal Roy,Supratik Kar,Rudra Narayan Das