International Conference on Chemoinformatics

March 2007
Chemical Business;Mar2007, Vol. 21 Issue 3, p74
Trade Publication
The article offers information on the International Conference on Chemoinformatics held from January 22 to 24 in 2007. 120 delegates from the U.S., Germany, Great Britain, Hungary and India listened to distinguished speakers like Professors Gasteiger and Alex Tropsha. Gasteiger spoke on "Chemoinformatics: Making chemistry more efficient," while Tropsha delivered his keynote address on chemoinformatics as a predictive science.


Related Articles

  • Not Just Chemical Information. Hawkins, Donald T. // Information Today;Dec2004, Vol. 21 Issue 11, p42 

    This article provides information on the International Chemical Information Conference (ICIC) which was held in Annecy, France in October 2004. The ICIC began as a forum to discuss the specialized and complex issues of chemical information retrieval. Typical topics of the early conferences...

  • Riding the New Wave. Salamone, Salvatore // Bio-IT World;Oct2004, Vol. 3 Issue 10, p42 

    Reports on the growing market for chemoinformatics tools in the U.S. as of October 2004. Information on LeadNavigator from Lion; Difference from bioinformatics tools; Reason cited for the market growth. INSET: Other New Tools.

  • Applications of the InChI in cheminformatics with the CDK and Bioclipse. Spjuth, Ola; Berg, Arvid; Adams, Samuel; Willighagen, Egon L. // Journal of Cheminformatics;2013, Vol. 5 Issue 1, p1 

    Background: The InChI algorithms are written in C++ and not available as Java library. Integration into software written in Java therefore requires a bridge between C and Java libraries, provided by the Java Native Interface (JNI) technology. Results: We here describe how the InChI library is...

  • Nanopore Cheminformatics. Winters-Hilt, Stephen; Akeson, Mark // DNA & Cell Biology;Oct2004, Vol. 23 Issue 10, p675 

    A cheminformatics method is described for classification, and biophysical examination, of individual molecules. A novel molecular detector is used—one based on current blockade measurements through a nanometer-scale ion channel (alpha-hemolysin). Classification results are described for...

  • On InChI and evaluating the quality of crossreference links. Galgonek, Jakub; Vondrášek, Jiří // Journal of Cheminformatics;2014, Vol. 6 Issue 1, p1 

    Background There are many databases of small molecules focused on different aspects of research and its applications. Some tasks may require integration of information from various databases. However, determining which entries from different databases represent the same compound is not...

  • Condorcet and borda count fusion method for ligand-based virtual screening. Ahmed, Ali; Saeed, Faisal; Salim, Naomie; Abdo, Ammar // Journal of Cheminformatics;2014, Vol. 6 Issue 1, p1 

    Background It is known that any individual similarity measure will not always give the best recall of active molecule structure for all types of activity classes. Recently, the effectiveness of ligand-based virtual screening approaches can be enhanced by using data fusion. Data fusion can be...

  • Supervised extensions of chemography approaches: case studies of chemical liabilities assessment. Ovchinnikova, Svetlana I.; Bykov, Arseniy A.; Yu Tsivadze, Aslan; Dyachkov, Evgeny P.; Kireeva, Natalia V. // Journal of Cheminformatics;2014, Vol. 6 Issue 1, p1 

    Chemical liabilities, such as adverse effects and toxicity, play a significant role in modern drug discovery process. In silico assessment of chemical liabilities is an important step aimed to reduce costs and animal testing by complementing or replacing in vitro and in vivo experiments. Herein,...

  • Using cheminformatics to predict cross reactivity of "designer drugs" to their currently available immunoassays. Krasowski, Matthew D.; Ekins, Sean // Journal of Cheminformatics;2014, Vol. 6 Issue 1, p1 

    Background A challenge for drug of abuse testing is presented by 'designer drugs', compounds typically discovered by modifications of existing clinical drug classes such as amphetamines and cannabinoids. Drug of abuse screening immunoassays directed at amphetamine or methamphetamine only detect...

  • Integrative cheminformatics platform.  // Scientific Computing World;Apr/May2006, Issue 87, p30 

    The article reviews the cheminformatics software ChemSense from InforSense.


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics