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Exploring data augmentation: Multi-task methods for molecular property prediction

; ; ; ;

In
Machine learning in chemical engineering : Special issue / Guest Editors: Professor Alexander Mitsos, Dr. Erik Esche, Professor Artur M. Schweidtmann

In
Computers & chemical engineering 201, Seiten/Artikel-Nr.:109253

ImpressumAmsterdam [u.a.] : Elsevier Science

Umfang[1]-12

ISSN0098-1354

Online
DOI: 10.1016/j.compchemeng.2025.109253

DOI: 10.18154/RWTH-2025-06044
URL: https://publications.rwth-aachen.de/record/1014359/files/1014359.pdf

Einrichtungen

  1. Lehrstuhl für Systemverfahrenstechnik (416710)
  2. Lehrstuhl für Logik und Theorie diskreter Systeme (Informatik 7) (122910)
  3. Fachgruppe Informatik (120000)
  4. JARA-CSD (Center for Simulation and Data Science) (080031)

Projekte

  1. OAPKF - Open-Access-Publikation mit Unterstützung der RWTH Aachen University (021000-OAPKF) (021000-OAPKF)
  2. HDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612) (HDS-LEE-20190612)
  3. DFG project G:(GEPRIS)466417970 - Generatives graph-basiertes maschinelles Lernen für das integrierte Design von Molekülen und Prozessen (466417970) (466417970)
  4. Doktorandenprogramm (PHD-PROGRAM-20170404) (PHD-PROGRAM-20170404)
  5. DFG project G:(GEPRIS)441958259 - SPP 2331: Maschinelles Lernen in der Verfahrenstechnik. Wissen trifft auf Daten: Interpretierbarkeit, Extrapolation, Verlässlichkeit, Vertrauen (441958259) (441958259)
  6. WSS-Forschungszentrum catalaix (CATALAIX-WSS100) (CATALAIX-WSS100)
  7. SymSim - Symmetry and Similarity (101054974) (101054974)

Thematische Einordnung (Klassifikation)
DDC: 660

OpenAccess:
Download fulltext PDF

Dokumenttyp
Journal Article/Contribution to a book

Format
online, print

Sprache
English

Anmerkung
Peer reviewed article

Externe Identnummern
SCOPUS: SCOPUS:2-s2.0-105009653966
WOS Core Collection: WOS:001527169800002

Interne Identnummern
RWTH-2025-06044
Datensatz-ID: 1014359

Beteiligte Länder
Germany

Lizenzstatus der Zeitschrift

 GO

Related:

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Book  ;  ;
Machine learning in chemical engineering : Special issue
Computers & chemical engineering ()  GO   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

Medline ; Creative Commons Attribution CC BY 4.0 ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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The record appears in these collections:
Document types > Books > Contributions to a book
Document types > Articles > Journal Articles
Faculty of Mechanical Engineering (Fac.4)
Publication server / Open Access
Faculty of Computer Science (Fac.9)
Central and Other Institutions
Public records
Publication Charges
Publications database
120000
416710
080031
122910
TypAmountVATCurrencyShareStatusCost centre
Other100.007.00EUR4.00 %(DEAL)021000-416710
Hybrid-OA2400.29168.02EUR96.00 %(DEAL)021000-416710
Sum2500.29175.02EUR   
Total2675.31     
 Record created 2025-07-08, last modified 2026-06-22
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