Short Term Fellowships: The ECO Evaluation of QSAR/QSPR modeling performance of some novel molecular descriptors.
University of Milano-Bicocca |
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| Fachrichtung |
In silico |
| Beschreibung des Jobs |
These are 37 short-term appointments for 3-12 months depending on a project. The topics can be either proposed by the applicant or are proposed by the partners or associated partners of the network as indicated below.
STR2 a, b und c - Available in UMB (University of Milano-Bicocca)
The ECO Evaluation of QSAR/QSPR modeling performance of some novel molecular descriptors.
12 months (3 positions of 4 months each)
Several new molecular descriptors have been defined in the last few years; however, their role in QSAR/QSPR modelling was not explored at all or was evaluated only by means of simple few benchmark datasets.
Therefore, some efforts need to be addressed to obtaining more knowledge about chemical information encoded by these molecular descriptors, their correlation with other well-known descriptors and their ability of predicting some properties of substances.
The molecular descriptors that are going to be considered in this study are:
1. Some topological indices calculated from generalized graph-theoretical matrices based on different weighting schemes of molecular graphs,
2. TDB descriptors, which are autocorrelations that also incorporate geometrical distances between atoms,
3. ETA descriptors, that encode electronic information,
4. surface and volume descriptors,
5. new substructure descriptors and fingerprints.
These molecular descriptors may hopefully improve models for prediction of environmental properties of interest. Therefore, experimental data will be collected from literature or existing open databases for different partition coefficients, vapor pressure, water solubility, bioconcentration factor, biodegradation, athmospheric oxidation, and so forth. Predictive models will be developed and compared with the models based on the EPA software (Episute).
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| Qualifikationen |
For Short-Term Fellowships, the eligibility rules of the European Commission for ESR (Early Stage Researchers) apply:
\"Early Stage researchers are defined as those who are, at the time of selection by the host institution, in the first four years of their research careers. This is measured from date when they obtained the degree which would formally entitle them to embark on a doctorate, either in the country in which the research training is provided...\"
Also keep in mind the European Commission\'s conditions of nationality and mobility of researchers, please:
\"Researchers can be nationals of any country other than the country of the promises of the host organisation where they will carry out their projects. Additionally researchers must not have resided or carried out their main activity in the country of the host for more than 12 months in the 3 years immediately prior to their recruitment...\" |
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| Art des Jobs |
Vollzeit |
| Bewerbungsschluss (Eingangsdatum) |
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| Wie bewerben? |
You can apply for this position by sending your application electronically through the following web page http://www.eco-itn.eu/
For more details contact Prof. R. Todeschini |
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| Anbieter |
University of Milano-Bicocca |
| Straße |
P.za della Scienza, 1 |
| Postleitzahl/Stadt |
20126 Milano |
| Land |
Italy |
| Website |
http://www.eco-itn.eu |
| Ansprechpartner/in |
Prof. Roberto Todeschini |
| Telefon |
+39 02 64482820 / Portable: +39 349 6190613 |
| Fax |
+39 02 64482839 |
| Email |
roberto.todeschini@unimib.it |
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| Veröffentlicht am |
Montag, 12. Juli 2010 |
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