Wolfram Teetz
Research interests
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Interestsweb users, QSPR/QSAR studies online, QSAR, ochem, ADME, ADME TOX, ADMET, pkpd, DMPK, physchem, ephyschem, eadmet
Publications
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3.84Impact points
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
Journal of computer-aided molecular design. 06/2011; 25(6):533-54.
The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains ... [more] The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains a set of tools for easy input, search and modification of thousands of records. The OCHEM database is based on the wiki principle and focuses primarily on the quality and verifiability of the data. The database is tightly integrated with the modeling framework, which supports all the steps required to create a predictive model: data search, calculation and selection of a vast variety of molecular descriptors, application of machine learning methods, validation, analysis of the model and assessment of the applicability domain. As compared to other similar systems, OCHEM is not intended to re-implement the existing tools or models but rather to invite the original authors to contribute their results, make them publicly available, share them with other users and to become members of the growing research community. Our intention is to make OCHEM a widely used platform to perform the QSPR/QSAR studies online and share it with other users on the Web. The ultimate goal of OCHEM is collecting all possible chemoinformatics tools within one simple, reliable and user-friendly resource. The OCHEM is free for web users and it is available online at http://www.ochem.eu.
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12.90Impact points
Chemical and biological properties of porcine secretin and secretin analogues modified in positions 3 and 4.
Gastroenterology. 05/1977; 72(4 Pt.2):797-800.
The synthesis of secretin does not offer fundamental difficulties any longer. The problem of the stability of the hormone seems to be solved from a practical point of view. However, the mechanism of the inactivation of secretin in solution is not yet satisfactorily explained, alpha-beta Rearrangemen... [more] The synthesis of secretin does not offer fundamental difficulties any longer. The problem of the stability of the hormone seems to be solved from a practical point of view. However, the mechanism of the inactivation of secretin in solution is not yet satisfactorily explained, alpha-beta Rearrangement of the Asp-Gly bond may play a role, but some observations indicate that inactivation is not a straight reaction. Like secretion [Ala-4] secretin shows beta-sympathomimetic activity. The availability of a suitable depot preparation permits physiological studies with secretin and its analogues after subcutaneous administration.
Following (5)
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Roberto Todeschini
Università degli Studi di Milano-Bicocca -
Vladyslav Kholodovych
University of Medicine & Dentistry of New Jersey -
Stefan Brandmaier
Helmholtz Zentrum München -
Alexandre Varnek
Université de Strasbourg -
Sergii Novotarskyi
HelmholtzZentrum Muenchen