V
Volodymyr V. Prokopenko
Researcher at National Academy of Sciences of Ukraine
Publications - 8
Citations - 2148
Volodymyr V. Prokopenko is an academic researcher from National Academy of Sciences of Ukraine. The author has contributed to research in topics: Applicability domain & The Internet. The author has an hindex of 6, co-authored 8 publications receiving 1898 citations. Previous affiliations of Volodymyr V. Prokopenko include University of British Columbia.
Papers
More filters
Journal ArticleDOI
Virtual computational chemistry laboratory - design and description
Igor V. Tetko,Johann Gasteiger,Roberto Todeschini,Andrea Mauri,David J. Livingstone,Peter Ertl,Vladimir A. Palyulin,Eugene V. Radchenko,Nikolai S. Zefirov,Alexander S. Makarenko,Vsevolod Yu. Tanchuk,Volodymyr V. Prokopenko +11 more
TL;DR: The main features and statistics of the developed system, Virtual Computational Chemistry Laboratory, allowing the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis are reviewed.
Journal ArticleDOI
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.
Journal ArticleDOI
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
Iurii Sushko,Sergii Novotarskyi,Robert Körner,Anil Kumar Pandey,Artem Cherkasov,Jiazhong Li,Paola Gramatica,Katja Hansen,Timon Schroeter,Klaus-Robert Müller,Lili Xi,Huanxiang Liu,Xiaojun Yao,Tomas Öberg,Farhad Hormozdiari,Phuong Dao,Cenk Sahinalp,Roberto Todeschini,Pavel G. Polishchuk,A. Artemenko,Victor E. Kuz’min,Todd M. Martin,Douglas M. Young,Denis Fourches,Eugene N. Muratov,Alexander Tropsha,Igor I. Baskin,Dragos Horvath,Gilles Marcou,Christophe Muller,A. Varnek,Volodymyr V. Prokopenko,Igor V. Tetko +32 more
TL;DR: This work demonstrates that the DMs based on an ensemble (consensus) model provide systematically better performance than other DMs and can be used to halve the cost of experimental measurements by providing a similar prediction accuracy.
Journal ArticleDOI
Applicability domain for in silico models to achieve accuracy of experimental measurements
Iurii Sushko,Sergii Novotarskyi,Robert Körner,Anil Kumar Pandey,Vasily V. Kovalishyn,Volodymyr V. Prokopenko,Igor V. Tetko +6 more
TL;DR: It is shown that applicability domain (AD) approaches can differentiate reliable and non‐reliable predictions and identify those with experimental accuracy for both regression and classification models.
Journal ArticleDOI
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.