Archived news  Conferentia Chemometrica 2011: The Conferentia Chemometrica 2011 will be held in Sumeg (Hungary),18-21 September 2011. For further info on the conference, visit the web site. (inserted on 11/02/2011)
New tutorial on line: A new tutorial about "Useful and unuseful summaries of regression models" is now available on moleculardescriptors.eu. (inserted on 11/10/2010)
MATH CHEM COMP 2010: The 25th International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences (MATH CHEM COMP 2010) will be held in Dubrovnik (Croatia), from 7 till 12 June 2010. Visit the web site at: http://mcc.irb.hr/. (inserted on 29/03/2010)
IAMC meeting 2010: The 2010 meeting of the International Academiy of Mathematical Chemistry will be held in Dubrovnik at Hotel "Lero", June 5-6, 2010.
Register now here. (inserted on 29/03/2010)
PhD and PostoDoctoral positions available: Environmental ChemOinformatic (ECO) Marie Curie Initial Training Network (ITN) is a collaborative action of 7 institutions from 5 EU countries (Germany, The Netherlands, Spain, Sweden, Italy). The primary objective of this ITN is to contribute to the education of environmental chemo-informaticians who will receive an advanced training in both environmental sciences and computational in silico methods. The fellows of the network are expected to apply their knowledge for the implementation of REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in particular with respect to the replacement, refinement and reduction of animal tests by alternative (in silico and in vitro) methods.
ECO provides 11 positions (Early Stage Researchers in EU terminology) leading towards PhD and 1 postdoctoral position (Experienced Researcher in EU terminology, 1 year duration) starting before September 2010. The selection of fellows will be done on March 31st – April 1st. Place and details of the meeting (travel and participation costs will be covered by the ECO) will be communicated to the selected participants in March. In order to be qualified for this meeting, please, submit your application before March 1st.
The detailed descriptions and specific skills required for each position are available at the web site http://www.eco-itn.eu/positions.
(inserted on 21/01/2010)
Paper together with István Lukovits.: A recent paper by Nenad Trinajstic, Sonja Nikolic and Bono Lucic on graph-theoretical descriptors has been published. In the development of this paper István Lukovits has been involved.
The paper is:
Distance-Related Molecular Descriptors
Bono Lučić, Sonja Nikolić, and Nenad Trinajstić
Internet Electron. J. Mol. Des. 2008, 7, 195-206.
http://biochempress.com/av07_0195.html
http://biochempress.com/Files/iejmd_2008_7_0195.pdf
(inserted on 03/12/2008)
MCC 2009 Course & Conference: MCC 2009 Course & Conference will be held in Hotel "Lero" (Dubrovnik), June 8-13, 2009. All informations on the meeting are to be found at: http://mcc.irb.hr (inserted on 25/09/2008)
IAMC 2009 meeting: The IAMC 2009 meeting will be held in Hotel "Lero" (Dubrovnik), June 14-16, 2009. (inserted on 25/09/2008)
MOLE db - Molecular Descriptors Data Base: The MOLE db - Molecular Descriptors Data Base is a free on-line database constituted of 1124 molecular descriptors calculated on 234773 molecules. This data base is intended as a research and teaching tool and basically allows the researcher to: a) search for a specific group of molecules and analyse the corresponding values of molecular descriptors b) save in an output file the values of a block of molecular descriptors calculated on a group of molecules.
Explore the data base here. (inserted on 10/03/2008)
New version 5.5 of DRAGON software: In DRAGON 5.5 two new blocks of molecular descriptors were added, leading to a total of 1560 (780x2) new descriptors.
The new block 21 is comprised of 2D binary fingerprints, which define the presence (1) or absence (0) of specific atom pairs at different topological distances (from 1 to 10).
The new block 22 is comprised of 2D frequency fingerprints, which differ from the binary fingerprints since the frequency of specific atom pairs at different topological distances (from 1 to 10) is calculated.
The considered atom pairs are the combinations of C, N, O, S, P, F, Cl, Br, I, B, Si and X (where X represents any other atom, except hydrogen).
(inserted on 26/11/2007)
4th IAMC and MCC08 Conference: The International Academy of Mathematical Chemistry (IAMC) and MATH/CHEM/COMP 2008 Conference (MCC08) meetings will be held in Verbania (Italy), during the same week. The IAMC meeting will be held June 9, 2008 and the MATH/CHEM/COMP 2008 Conference will be held June 10 - 13, 2008. Information and registration here. (inserted on 12/10/2007)
Z index of Haruo Hosoya: The publication of Professor Haruo Hosoya on his Z topological index (published in 1971) is the second most cited publication that appeared in Bulletin of the Chemical Society of Japan:
"Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons" (1971), Bulletin of Chemical Society of Japan, 44, 2332-2339.
Congratulations, Haruo! (inserted on 15/08/2007)
Datasets for descriptor comparisons: A new section (Data) has been added in moleculardescriptors.eu. This section is dedicated to the benchmark data sets suggested by the International Academy of Mathematical Chemistry for the comparison of new and old molecular descriptors. (inserted on 19/06/2007)
New book: The new book "Mathematical Aspects of Randic-Type Molecular Structure Descriptors" by Xueliang Li and Ivan Gutman - in the series of Mathematical Chemistry Monographs - is now available at MATCH.
(inserted on 28/11/2006)
MCC-07 meeting: The next MATH/CHEM/COMP meeting (MCC-07) will be held in Dubrovnik June 11-16, 2007. More information (pdf format).
Abstract submission deadline: May 1, 2007
Low-rate registration fee deadline: April 15, 2007 (inserted on 28/11/2006)
3rd IAMC meeting: The next meeting of the International Academy of Mathematical Chemistry (IAMC '2007) will be held in Hotel "Lero" in Dubrovnik June 07-09, 2007. The participants pay their accomodation by themselves. Reservations are on the participants and are done by writing to: Hotel Lero. (inserted on 28/11/2006)
Nenad Trinajstic birthday: A special issue of Journal of Chemical Information and Modeling celebrating Professor Nenad Trinajstic's 70th birthday will be published at the beginning of 2007. (inserted on 22/11/2006)
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