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Some observations on classical QSAR

SummaryClassical QSAR began almost 30 years ago. This article briefly traces its development, use and impact in relation to drug design and medicinal chemistry.

出版机构:Springer

刊物名称:Perspectives in Drug Discovery and Design

出版时间:1993

ISSN:0928-2866

数据源:报刊文摘

Coal flotation optimization using modified flotation parameters and combustible recovery in a Jameson cell

This study discusses a new coal flotation optimization approach. It is conducted using modified flotation parameters and combustible recovery. The experimental work was evaluated in two stages.

出版机构:Elsevier Science

刊物名称:Energy Conversion and Management

出版时间:2010

ISSN:0196-8904

数据源:报刊文摘

Optimization of well placement geothermal reservoirs using artificial intelligence

This research proposes a framework for determining the optimum location of an injection well using an inference method, artificial neural networks and a search algorithm to create a search space and locate the global maxima.

出版机构:Elsevier Science

刊物名称:Computers & Geosciences

出版时间:2010

ISSN:0098-3004

数据源:报刊文摘

Simultaneous optimization of the microextraction of coffee volatiles using response surface methodology and principal component analysis

It is well known that no single experimental condition can be found under which the extraction of all the volatile compounds in a gas chromatographic analysis of roasted coffee beans by headspace-solid phase microextraction (HS-SPME) is maximized. This is due to the large number of peaks recorded.

出版机构:Elsevier Science

刊物名称:Chemometrics and Intelligent Laboratory Systems

出版时间:2010

ISSN:0169-7439

数据源:报刊文摘

An optimal control problem for the multidimensional diffusion equation with a generalized control variable

AbstractThe present paper is concerned with an optimal control problem for then-dimensional diffusion equation with a sequence of Radon measures as generalized control variables. Suppose that a desired final state is not reachable.

出版机构:Springer US

刊物名称:Journal of Optimization Theory and Applications

出版时间:1992

ISSN:0022-3239

数据源:报刊文摘

Diversity control in ant colony optimization

Optimization inspired by cooperative food retrieval in ants has been unexpectedly successful and has been known as ant colony optimization (ACO) in recent years.

出版机构:Springer Japan

刊物名称:Artificial Life and Robotics

出版时间:2004

ISSN:1433-5298

数据源:报刊文摘

Parameter estimation for chaotic systems with a Drift Particle Swarm Optimization method

Inspired by the motion of electrons in metal conductors in an electric field, we propose a variant of Particle Swarm Optimization (PSO), called Drift Particle Swarm Optimization (DPSO) algorithm, and apply it in estimating the unknown parameters of chaotic dynamic systems.

出版机构:Elsevier Science

刊物名称:Physics Letters A

出版时间:2010

ISSN:0375-9601

数据源:报刊文摘

A restricted trust region algorithm for unconstrained optimization

AbstractThis paper proposes an efficient implementation of a trust-region-like algorithm. The trust region is restricted to an appropriately chosen two-dimensional subspace. Convergence properties are discussed and numerical results are reported.

出版机构:Springer US

刊物名称:Journal of Optimization Theory and Applications

出版时间:1985

ISSN:0022-3239

数据源:报刊文摘

Rate efficiency design of multi-pathway reactions in CO oxidation over ZnO

AbstractThe possibility of designing the rate efficiency for the multi-pathway reactions of carbon monoxide oxidation on zinc oxide has been comparatively demonstrated using steady state and cyclic operations.

出版机构:Springer Netherlands

刊物名称:Reaction Kinetics and Catalysis Letters

出版时间:1996

ISSN:0133-1736

数据源:报刊文摘

Comparing the catalytic performances of mixed molybdenum with cerium and lanthanide oxides supported on HZSM-5 by multiobjective optimization of catalyst compositions using nondominated sorting genetic algorithm

Two empirical models for each system, based on these preparation variables for the yields of ethylene and propylene were constructed in two CCD studies.

出版机构:Elsevier Science

刊物名称:Journal of Analytical and Applied Pyrolysis

出版时间:2010

ISSN:0165-2370

数据源:报刊文摘