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Springer QSPR/QSAR Analysis Using SMILES and Quasi-SMILES - Volume 33

Amazon

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£159.99 £146.16 £149.18 £152.20 £155.21 £158.23 £161.25 28 July 2026 14 August 2026 31 August 2026 17 September 2026 05 October 2026
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Description

This Springer contributed volume explores modern approaches to QSPR/QSAR analysis utilising SMILES (Simplified Molecular Input Line Entry System) and quasi-SMILES notation for representing molecular structures. Unlike conventional SMILES, quasi-SMILES employs special symbols and codes to capture both molecular features and experimental conditions, enabling the development of predictive models through Monte Carlo calculation methods. The text covers the derivation of optimal descriptors for QSPR/QSAR modelling alongside advanced Nano-QSPR/QSAR techniques, offering researchers and computational chemists a comprehensive guide to modern molecular analysis, structure-activity relationship prediction, and quantitative property-activity prediction strategies in computational chemistry.

Key Features

Springer publication offering in-depth coverage of SMILES and quasi-SMILES notation systems for molecular representation and analysis.

Volume 33 of the Challenges and Advances in Computational Chemistry and Physics series providing advanced theoretical frameworks.

Monte Carlo calculation methods integrated throughout for generating optimal descriptors in QSPR/QSAR model development.

Dual focus on traditional QSPR/QSAR approaches alongside Nano-QSPR/QSAR extensions for nanoscale molecular systems.

Contributed volume format combining multiple expert perspectives on contemporary computational chemistry methodologies and applications.

Product Specifications

Format
paperback
Domain
Amazon UK
Release Date
11 June 2024
Listed Since
12 June 2024

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