Literature DB >> 17475271

Genetic algorithms in chemistry.

Riccardo Leardi1.   

Abstract

Genetic algorithms (GAs) are a quite recent technique of optimization, whose basic concept is mimicking the evolution of a species, according to the Darwinian theory of the "survival of the fittest." The application of genetic algorithms to complex problems usually produces much better results than those obtained by the standard techniques. This paper explains in detail the different steps of the algorithm and the most relevant problems to be solved in order to obtain an efficient optimization tool.

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Year:  2007        PMID: 17475271     DOI: 10.1016/j.chroma.2007.04.025

Source DB:  PubMed          Journal:  J Chromatogr A        ISSN: 0021-9673            Impact factor:   4.759


  9 in total

1.  Evolution of catalysts directed by genetic algorithms in a plug-based microfluidic device tested with oxidation of methane by oxygen.

Authors:  Jason E Kreutz; Anton Shukhaev; Wenbin Du; Sasha Druskin; Olafs Daugulis; Rustem F Ismagilov
Journal:  J Am Chem Soc       Date:  2010-03-10       Impact factor: 15.419

2.  Extended continuous similarity indices: theory and application for QSAR descriptor selection.

Authors:  Anita Rácz; Timothy B Dunn; Dávid Bajusz; Taewon D Kim; Ramón Alain Miranda-Quintana; Károly Héberger
Journal:  J Comput Aided Mol Des       Date:  2022-03-15       Impact factor: 3.686

3.  Rationalizing tight ligand binding through cooperative interaction networks.

Authors:  Bernd Kuhn; Julian E Fuchs; Michael Reutlinger; Martin Stahl; Neil R Taylor
Journal:  J Chem Inf Model       Date:  2011-12-09       Impact factor: 4.956

Review 4.  Multivariate linear QSPR/QSAR models: Rigorous evaluation of variable selection for PLS.

Authors:  Kurt Varmuza; Peter Filzmoser; Matthias Dehmer
Journal:  Comput Struct Biotechnol J       Date:  2013-03-02       Impact factor: 7.271

5.  QSAR-based molecular signatures of prenylated (iso)flavonoids underlying antimicrobial potency against and membrane-disruption in Gram positive and Gram negative bacteria.

Authors:  Carla Araya-Cloutier; Jean-Paul Vincken; Milou G M van de Schans; Jos Hageman; Gijs Schaftenaar; Heidy M W den Besten; Harry Gruppen
Journal:  Sci Rep       Date:  2018-06-18       Impact factor: 4.379

6.  Comparison of wavelength selection methods for in-vitro estimation of lactate: a new unconstrained, genetic algorithm-based wavelength selection.

Authors:  Mohammad Mamouei; Karthik Budidha; Nystha Baishya; Meha Qassem; Panayiotis Kyriacou
Journal:  Sci Rep       Date:  2020-10-09       Impact factor: 4.379

7.  Structure Driven Prediction of Chromatographic Retention Times: Applications to Pharmaceutical Analysis.

Authors:  Roman Szucs; Roland Brown; Claudio Brunelli; James C Heaton; Jasna Hradski
Journal:  Int J Mol Sci       Date:  2021-04-08       Impact factor: 5.923

8.  Effects of silver nanoparticles coated with anti-HER2 on irradiation efficiency of SKBR3 breast cancer cells.

Authors:  Shahin Aghamiri; Ali Jafarpour; Mohsen Shoja
Journal:  IET Nanobiotechnol       Date:  2019-10       Impact factor: 1.847

9.  The superior fault tolerance of artificial neural network training with a fault/noise injection-based genetic algorithm.

Authors:  Feng Su; Peijiang Yuan; Yangzhen Wang; Chen Zhang
Journal:  Protein Cell       Date:  2016-08-09       Impact factor: 14.870

  9 in total

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