By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Advances in Mathematical Chemistry and Applications highlights the hot growth within the rising self-discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have introduced jointly 27 chapters written via sixty eight the world over well known specialists in those volumes.
Each quantity contains a smart integration of mathematical and chemical options and covers a variety of functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.
Volume 1 comprises chapters on mathematical structural descriptors of molecules and biomolecules, functions of partly ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph conception, diverse connectivity matrices and their polynomials, use of second fingerprints in similarity-based digital screening, mathematical methods to molecular constitution iteration, comparison graphs, purposes of molecular topology in drug layout, density useful conception of chemical reactivity, program of mathematical descriptors within the quantification of drug-likeness, application of pharmacophores in drug layout, and masses more.
- Brings jointly either the theoretical and functional points of the basic options of mathematical chemistry
- Covers purposes in different components of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
- Revised 2015 variation encompasses a new bankruptcy at the present panorama of hierarchical QSAR modelling
- About 1/2 the booklet focuses totally on present paintings, new functions, and rising ways for the mathematical characterization of crucial elements of molecular constitution, whereas the opposite part describes purposes of structural method of new drug discovery, digital screening, protein folding, predictive toxicology, DNA constitution, and platforms biology
Read Online or Download Advances in Mathematical Chemistry and Applications: Volume 1 PDF
Similar analytic chemistry books
Statistical Design-Chemometrics is acceptable to researchers and pros who desire to practice experiments in chemometrics and perform research of the knowledge within the most productive means attainable. The language is obvious, direct and orientated in the direction of actual functions. The e-book offers 106 routines with solutions to accompany the research of theoretical rules.
Die Lebensmittelanalytik bildet als angewandte Wissenschaft die foundation zur Untersuchung und Beurteilung von Qualität und Sicherheit unserer Lebensmittel. Das Anleitungs- und Praktikumsbuch beschreibt grundlegende und fortgeschrittene Untersuchungsmethoden. Es vermittelt Basiswissen sowohl über die wichtigsten chemischen und physikalischen Analysenverfahren und deren praktische Durchführung als auch über den theoretischen Hintergrund der Substrate, Analyten und Methoden.
Advances in Mathematical Chemistry and functions highlights the hot development within the rising self-discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have introduced jointly 27 chapters written by way of sixty eight across the world popular specialists in those volumes.
Computational Statistical Mechanics describes using quick desktops to simulate the equilibrium and nonequilibrium homes of gases, beverages, and solids at, and clear of equilibrium. The underlying idea is constructed from uncomplicated ideas and illustrated by way of utilising it to the easiest attainable examples.
Extra resources for Advances in Mathematical Chemistry and Applications: Volume 1
Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces