Multiobjective/Multicriteria Optimization and Decision Support in Drug Discovery

In this paper we consider the solution of multicriteria decision support in the assessment of the time parameter of network plan under uncertainty fuzzy character. Proposed method is based on the mechanisms of fuzzy set theory and multicriteria optimization and represents a fuzzy model, as input parameters of which set of fuzzy criterion act, the calculation in a fuzzy model is carried out on the bases of fuzzy reasoning (logical implication) of the base of rules, and as an output parameter of model, ie, possibilistic duration of work acts as the resulting function.

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Single- and multicriteria optimization as a tool of decision support system

Computers in Industry ◽

10.1016/0166-3615(89)90006-7 ◽

1989 ◽

Vol 11 (3) ◽

pp. 249-266 ◽

Cited By ~ 10

Author(s):

Károly Jármai

Keyword(s):

Decision Support ◽

Decision Support System ◽

Support System ◽

Multicriteria Optimization

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Decision Support by Multicriteria Optimization in Chemical Production

Multikriterielle Optimierung und Entscheidungsunterstützung ◽

10.1007/978-3-658-27041-4_5 ◽

2019 ◽

pp. 61-75

Author(s):

Michael Bortz ◽

Karl-Heinz Küfer

Keyword(s):

Decision Support ◽

Multicriteria Optimization ◽

Chemical Production

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Integrated Project Views: Decision Support Platform for Drug Discovery Project Teams

Journal of Chemical Information and Modeling ◽

10.1021/ci200253g ◽

2012 ◽

Vol 52 (6) ◽

pp. 1438-1449 ◽

Cited By ~ 2

Author(s):

Eric J. Baede ◽

Ernest den Bekker ◽

Jan-Willem Boiten ◽

Deborah Cronin ◽

Rob van Gammeren ◽

...

Keyword(s):

Decision Support ◽

Drug Discovery ◽

Project Teams ◽

Integrated Project ◽

Discovery Project

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Open Source Drug Discovery with Bioclipse

Current Topics in Medicinal Chemistry ◽

10.2174/1568026611212180005 ◽

2013 ◽

Vol 12 (18) ◽

pp. 1980-1986

Author(s):

Ola Spjuth ◽

Jonathan Alvarsson ◽

Egon Willighagen ◽

Lars Carlsson ◽

Valentin Georgiev ◽

...

Keyword(s):

Decision Support ◽

Drug Discovery ◽

Virtual Screening ◽

Knowledge Discovery ◽

Open Source ◽

Chemical Structures ◽

Related Information ◽

Computational Pharmacology ◽

Qspr Modeling ◽

Discovery And Integration

We present the open source components for drug discovery that has been developed and integrated into the graphical workbench Bioclipse. Building on a solid open source cheminformatics core, Bioclipse has advanced functionality for managing and visualizing chemical structures and related information. The features presented here include QSAR/QSPR modeling, various predictive solutions such as decision support for chemical liability assessment, site-ofmetabolism prediction, virtual screening, and knowledge discovery and integration. We demonstrate the utility of the described tools with examples from computational pharmacology, toxicology, and ADME. Bioclipse is used in both academia and industry, and is a good example of open source leading to new solutions for drug discovery.

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