Reaction Data Curation I: Chemical Structures and Transformations Standardization.

Autor: Gimadiev TR; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan., Lin A; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France., Afonina VA; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Batyrshin D; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Nugmanov RI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Akhmetshin T; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France.; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Sidorov P; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan., Duybankova N; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Verhoeven J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Wegner J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Ceulemans H; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Gedich A; Arcadia Inc., Bol'shoy Sampsoniyevskiy Prospekt, 28 κopпyc 2, 194044, St Petersburg, Russia., Madzhidov TI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Varnek A; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan.; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France.

Publikováno v: Molecular informatics [Mol Inform] 2021 Dec; Vol. 40 (12), pp. e2100119. Date of Electronic Publication: 2021 Aug 24.