"193" Result
Sort By:
"This text aims to provide a comprehensive introduction to the major techniques of chemoinformatics. - The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models…
"This text aims to provide a comprehensive introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. …
"This text aims to provide a comprehensive introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. …
Handbook of numerical analysis
0
Type: Book
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. …
This book offers readers an accessible introduction to the world of multivariate statistics in the life sciences, providing a comprehensive description of the general data analysis paradigm, from exploratory analysis (principal component analysis, self-organizing maps and cluste…
"Thirteen carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2019) are featured in this edited book of proceedings. VCCS-2019, an annual meeting, was held online from 1st to 31st August 2019. The theme of the conference was…
Computational chemistry: applications and new technologies
by Ramasami, Ponnadurai, Ntie-Kang, Fidele, Abdulsalami, Ibrahim Olasegun, Adelani Alabi, Kazeem, Adeoye, Moriam Dasola, Aderinto, Shukurat Modupe, Adigun, Rasheed Adewale, Adigun, Temidayo Olamide, Akintemi, Eric O., Alakanse, Oluwaseun Suleiman, Ambrose, George Oche, Bekono, Boris D., Bello, Isa Adewale, Bhagwat, Archana, Bhalekar, Sulochana, Bilonda, Mireille K., Eni, Donatus B., Govender, Penny P., Igunnu, Adedoyin, Isanbor, Chukwuemeka, Junaid, Idris O., Kuznetsov, Aleksey E., Mammino, Liliana, Megnassan, Eugène, Oche Ambrose, George, Olagboye, Sulaimon, Olasegun Abdulsalami, Ibrahim, Oloba-Whenu, Oluwakemi A., Oluwasegun Bamidele, Joshua, Opoku, Francis, Owono, Luc C. O., Parlak, Cemal, Rhyman, Lydia, Sekar, Nagaiyan, Semire, Banjo, Shinde, Suvidha, Sona, Alfred N., Sümeyra Atan, Berna, Tolufashe, Gideon F., Yusuf, Tunde L.
0
Type: Book
Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will pre…
"Provides practical information on how to choose and use appropriate computational tools Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics"--
"Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods. Overview of natural products chemistry. Discusses computational m…
This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials th…
La 4e de couverture indique : This book offers a comprehensive coverage of process simulation and flowsheeting, useful for undergraduate students of Chemical Engineering and Process Engineering as theoretical and practical support in Process Design, Process Simulation, Process E…
