HOME- Bryn Mawr Conference
- Workshops & Training
- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- Hardy, B
- Hardy, L
- Jeliazkova, N
- Judson, R
- Leahy, D
- Li, J
- Myatt, G
- Rydberg, P
- Tsaioun, K
- Wiseman, J
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- 2009 Oxford (Discovery)
- 2009 Oxford (ADMET)
- 2008 Oxford
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| About Nina Jeliazkova (Ideaconsult) |
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PhD in Computer Science, Bulgarian Academy of Science, Sofia, Bulgaria, 2001 (Thesis “Novel computer methods for molecular modeling”), M.Sc. in Computer Science, St. Petersburg, Russia
Experience in Data mining, Cheminformatics, QSAR, software development, network systems and services.
Author and co-author of about 40 scientific papers, as well as co-author of 2 textbooks. Excerpt of publication list available at http://vedina.users.sourceforge.net/publications.html
Teaching:
Computer Graphics, Computer architectures, Operating Systems, Internetworking at Technical University - Sofia, New Bulgarian University - Sofia, American College - Sofia, Bulgaria.
Professional Experience:
Since 2005: Techincal Manager at IdeaConsult Ltd. Ideaconsult Ltd provides consultancy, technical services and software development in the areas of chemoinformatics, QSAR and data mining, develops and maintains several well-known open source software products, in particular Toxtree (used in the application of the threshold of toxicological concern), Toxmatch (for encoding and applying chemical similarity indices), Ambit (a QSAR decision support system, including generic database management, structure conversions and searching, and applicability domain assessment). Currently Ideaconsult is partner in EC FP7 projects OpenTox and CADASTER.
2004-2009 Associate professor at the Institute for Parallel Processing, Bulgarian Academy of Science, Sofia, Bulgaria
2002-2003 Post Doc at Central Product Safety department, Procter & Gamble, Brussels, Belgium
1996-2001 Researcher at the Central Laboratory for Parallel Processing, Bulgarian Academy of Sciences, Sofia, Bulgaria
1996-2001 Collaborator and software developer with the Laboratory of Mathematical Chemistry, Bourgas, Bulgaria
1991-1995 Software developer at the oil refinery Neftochim, Bourgas, Bulgaria.
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Integrated QSAR-based Model Building, Applicability Domain Estimation, Validation and Reporting
Nina Jeliazkova (Ideaconsult)
(Q)SAR modelling, or the pursuit of correlations between structures of chemical compounds and biological activities has a long history. A multitude of commercial and freely-available software packages for performing related tasks are available. The three most important aspects of the model building are i) the availability of activity data (toxicological, pharmacological, toxico- or pharmaco-kinetic), ii) methods and algorithms for calculation of physicochemical or structural descriptors from the chemical structure, and iii) statistical methods to determine and validate the relationships. The prevailing modelling practice of gathering data manually from different sources and submitting it to some preferred (Q)SAR modelling tool makes the process labour intensive and error prone. Moreover it is difficult to integrate predictions from diverse programs. The OpenTox Framework, developed by partners of the FP7 OpenTox project1, aims at providing a unified access to toxicity data, (Q)SAR models, procedures supporting validation and additional information that helps with the interpretation of the (Q)SAR predictions. This is achieved on two levels: i) a common information model, based on ontologies, and ii) availability of data and methods via a standardized REST web services interface, where every compound, data set, descriptor calculation algorithm or statistical method has a unique web address, which is used to retrieve information or initiate the calculations. REST web services provide convenient technology to incorporate existing diverse IT solutions into an interoperable system, as the data access and calculation procedures could be implemented by different software packages and reside on remote internet locations. The OpenTox framework allows access on several levels, either by a user-friendly interface for toxicological experts or model developers, or by an application programming interface for development, integration and validation of new (Q)SAR algorithms. A web application, utilizing the OpenTox framework, and implementing an integrated approach towards collaborative (Q)SAR modelling will be presented and used in hands-on exercises. OpenTox applications and services will also be used in the support of the case study work carried out by the work groups during the workshop week.
References
1OpenTox - An Open Source Predictive Toxicology Framework, is funded under the EU Seventh Framework Program: HEALTH-2007-1.3-3 Promotion, development, validation, acceptance and implementation of QSARs (Quantitative Structure-Activity Relationships) for toxicology, Project Reference Number Health-F5-2008-200787 (2008-2011). More information at www.opentox.org
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