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Welcome

Welcome to the website of the Computational Toxicology Group. Here we publish the results of our research, offer free access to the toxicological databases and on-line toxicity prediction algorithms developed by the Group members.
Website is divided into two parts - open and accessible for registered users. To log in please create an account choosing Register new account link on your left hand side. Once the account is created we are starting the opening procedure which can take maximum few days. After that user has FULL, FREE access to the whole tox-portal.net content.

29.04 2014

Workshop & Summer School 2014

6th Workshop on using Computational Methods in Pharmaceutical Sciences is a one day long meeting which will take place on 1st of July, 2014. Workshop will be followed by the Summer School where theoretical considerations will be transferred into the practice with use of the real life case studies.

The main goal of the Workshop is to provide in depth, practical information about design, development, validation and implementation of the computational methods used in the pharmaceutical sciences with focus put on the effective data utilization.

More details and registration at the cpw.edu.pl.

12.08 2013

Symposium on Cardiac Safety Simulator

It is our pleasure to announce that the 5th Computational Pharmacy Workshop will take form of the one and half day long Symposium on Cardiac Safety Simulator which will be organized by Simcyp Ltd. (part of Certara) in Sheffield, UK. Symposium starts on the 19th of September (lectures) and continues on the 20th of September with a hands-on part.

For more details and registration please navigate to the Simcyp webpage.

11.04 2013

tox-database.net major upgrade

Database containing the drug triggered, in vitro measured cardiac currents  inhibition data has been upgraded! Repository contains literature derived values expressed as IC50 for four various currents (IKr, IKs, ICaL, INa), 543 molecules described in more than 1000 records (IKr current: 1137, IKs current: 165, INa current: 177, ICa current: 182).

Please navigate to tox-database.net to access the data.

13.01 2013

Conference presentation

Dr Sebastian Polak will be presenting during the 8th Annual International Conference on Predictive Human Toxicity and ADME/Tox Studies January 24th - 25th, 2013 Brussels, Belgium. Presentation title - In Vitro to Human In Vivo Translation – Proarrhythmic Potency of Dofetilide.
28.07 2012

New freely available database!

Another member of the 'tox-' family after the tox-portal.net and tox-comp.net goes live! Please navigate to tox-database.net, login using your tox-portal.net credentials and browse freely all of our databases containing information describing not only IKr (hERG), but also other human cardiomyocyte specific ionic channels inhibition data (IKs, INa, ICa). The database has been described in our latest, just accepted, freely available publication:

Polak S, Wisniowska B, Glinka A, Polak M. tox-database.net - data describing the chemicals triggered in vitro cardiac ionic channels inhibition. BMC Pharmacology and Toxicology, Accepted for publication.

30.06 2012

Computational Methods in Pharmaceutical Sciences Workshop

4th Workshop on using Computational Methods in Pharmaceutical Sciences is a one day long training which will take place on 8th of September, 2012. Workshop will be a part of the Computers in Cardiology - CinC 2012 Conference.

The main goal of the Workshop is to provide in depth, practical information about design, development, validation and implementation of the computational methods used in the pharmaceutical sciences with focus put on the early drugs cardiotoxicity prediction.

More details and free registration at the cpw.edu.pl.

10.04 2012

Future presentation of the team achievements!

11th World Pharma Congress is a one day long training which will take place in Philadelphia, PA (5-7 of June, 2012). On Monday 4th of June pre-conference short course on computational tools for predicting drugs toxicity will cover Dr Sebastian Polak presentation "In vitro-in vivo Extrapolation of the Cardiotoxic Effect: Inter-Individual Variability Matters!".

48th EUROTOX Congress will take place in Stockholm, Sweden (17-20 of June, 2012). Team achievements will be presented as the scientific posters: "Influence of the physiological parameters on the APD90 value simulated by human ventricular tissue model" and "Electrophysiologically inactive drugs - can we predict their cardiotoxicity?". They both will be presented during the Session P07 Computational toxicology.

PLEASE VISIT US AND DISCUSS OUR WORK!
06.12 2011

CPW 2011 workshop materials become available

Lectures and materials presented during the 3rd International Workshop - Computational Pharmacy on-line workshop has been published and are now available for public and download.

23.09 2011

Berlin workshop materials become available

Materials presented and cases discussed during the 3rd Predicitive Toxicology meeting in Berlin are now available to download.

01.05 2011

Major dataset upgrade

hERG channel inhibition potential database has been upgraded! Files (either .xlsx or .ods) are freely available in the tox-portal.net Repository - after registration. Largest publicly available set of data with triggered by drugs hERG inhibition information contains values expressed as IC50 for 263 molecules described in 642 records.

02.04 2011

Results presentation

We will be presenting our results during the following conferences:

Mini-symposium Computational toxicology and pharmacology - in silico drug activity and safety assessment (Saturday, July 2, 11:00) during the 8-th European Conference on Mathematical and Theoretical Biology and Annual Meeting of The Society for Mathematical Biology; June 28 - July 2 2011; Krakow, Poland

02.01 2011

MAJOR SYSTEM UPGRADE

New Year brings news to the Tox-Portal.net system. Under the Software link you will find free, system independent system designed for the hERG channel inhibition potential assessment. Extended hERG channel inhibition potential database is freely available in the tox-portal.net Repository - after registration. Files (either .xlsx or .ods) contain data gathered from available literature sources.

10.11 2009

Supplementary materials for the conference presentation

hERG channel inhibition potential dataset used for the ANN based model development is now freely available in the tox-portal.net Repository - after registration. Files (either .xlsx or .ods) contain ready-to-use dataset.

Results will be presented during the 14th Online World Conference on Soft Computing in Industrial Applications (WSC14) - http://wsc14.science-city.org

11.08 2009

New data files in the Repository

hERG channel inhibition potential database is now freely available in the tox-portal.net Repository - after registration. Files (either .xlsx or .ods) containing data gathered from available literature sources.

28.06 2009

2nd CONFERENCE

2nd International Workshop - Computational Methods in Pharmaceutical Sciences will be organized in year 2010 in Gdansk, Poland as a part of the XXI Scientific Conference of the Polish Pharmaceutical Society. More detailes and registration form can be found at the official website (www.cpw.edu.pl). Stay updated - visit our webpages regularly!