Wolfram Teetz
4 Papers
41 Citations
Wolfram Teetz is an academic researcher. The author has contributed to research in topics: Applicability domain & Set (abstract data type). The author has an hindex of 3, co-authored 4 publications.
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Papers
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Iurii Sushko,Sergii Novotarskyi,Robert Körner,Anil Kumar Pandey,Matthias Rupp,Wolfram Teetz,Stefan Brandmaier,Ahmed Abdelaziz,Volodymyr V. Prokopenko,Vsevolod Yu. Tanchuk,Roberto Todeschini,Alexandre Varnek,Gilles Marcou,Peter Ertl,Vladimir Potemkin,Maria Grishina,Johann Gasteiger,Christof H. Schwab,Igor I. Baskin,Vladimir A. Palyulin,Eugene V. Radchenko,William J. Welsh,Vladyslav Kholodovych,Dmitriy Chekmarev,Artem Cherkasov,João Aires-de-Sousa,Qingyou Zhang,Andreas Bender,Florian Nigsch,Luc Patiny,Antony J. Williams,Valery Tkachenko,Igor V. Tetko +32 more
TL;DR: The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling and 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.
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
Iurii Sushko,Anil Kumar Pandey,Sergii Novotarskyi,Robert Körner,Matthias Rupp,Wolfram Teetz,Stefan Brandmaier,Ahmed Abdelaziz,Volodymyr V. Prokopenko,Vsevolod Yu. Tanchuk,Roberto Todeschini,Alexandre Varnek,Gilles Marcou,Peter Ertl,Vladimir Potemkin,Maria Grishina,Johann Gasteiger,Igor I. Baskin,Vladimir A. Palyulin,Eugene V. Radchenko,William J. Welsh,Vladyslav Kholodovych,Dmitriy Chekmarev,Artem Cherkasov,João Aires-de-Sousa,Qingyou Zhang,Andreas Bender,Florian Nigsch,Luc Patiny,Antony J. Williams,Valery Tkachenko,Igor V. Tetko +31 more
TL;DR: The OCHEM is an ultimate platform to perform the QSPR/QSAR studies online and share it with other users on the Web and it is available online at http://ochem.eu.
QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework "OCHEM"
TL;DR: The OCHEM database is linked with an integrated QSAR modeling framework, which means scientists can model In vitro assays using In silico descriptor packages while making benefit of multi-learning features and automatics applicability domain estimation.
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CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
Barun Bhhatarai,Wolfram Teetz,Tao Liu,Tomas Öberg,Nina Jeliazkova,Nikolay Kochev,Ognyan Pukalov,Igor V. Tetko,Simona Kovarich,Ester Papa,Paola Gramatica +10 more
TL;DR: Quantitative structure property relationship (QSPR) studies on per‐ and polyfluorinated chemicals (PFCs) on melting point (MP) and boiling point (BP) are presented and QSPR models with internal and external validation on two different external prediction/validation sets and study of applicability‐domain highlighting the robustness and high accuracy of the models are discussed.