Objective
In 1996 during my one-year long stay to Japan I have proposed to apply Czech academic software GUHA to QSAR. Our Czech Japanese team used fingerprint descriptors for characterisation of important structural parts of molecules, processed by GUHA. In fact, our approach rests in phenomenological description as an alternative to molecular modelling. GUHA automatically generates hypotheses from empirical data and is several orders of magnitude faster, more productive and cheaper than classical modelling software see Halova et al.: QSAR 17(1998), 37-39. Until now I have performed coding of planar chemical formulae, what is the main weak point of the method.
Therefore, the main aim of training and reintegration phases in Moscow and Bonn is to obtain experience in molecular modelling and 3D-QSAR based on steric approach and also on linguistic descriptors. We will use two data sets and try to determine reasons for bioluminescence of pollutants and to select pollutants causing bioluminescence suitable for measurement of environmental pollution (the inverse task to the previous item - inverse QSAR). Other results will be recommendations for syntheses of potential modulators of multi-drug resistance. We also intend to utilise data mining in pharmaceutical databases using linguistic descriptors from IUPAC chemical terminology.
The mentioned approach is applicable also beyond the scope of biological sciences. Innovative spin off towards the Quantitative Property-Property Relationships (QPPR) in computer aided material design (spectral and other physico - chemical properties of solid samples in the Inst. of Inorganic Chemistry AS CR). A fellowship granted would have a positive impact on my future career development. It would increase my chance to set up prospective studies of QPPR at my home institution, to lecture on QSAR at the Prague University of Chemical Technology and to continue more intensively in tuition of PhD students in the interdisciplinary field of QSAR.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP6-2004-MOBILITY-6
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Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
OIF - Marie Curie actions-Outgoing International Fellowships
Coordinator
Germany
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