Blar i NTNU Open på forfatter "Jensen, Vidar Remi"
-
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules
Foscato, Marco; Venkatraman, Vishwesh; Jensen, Vidar Remi (Peer reviewed; Journal article, 2019)A general-purpose software package, termed DE Novo OPTimization of In/organic Molecules (DENOPTIM), for de novo design and virtual screening of functional molecules is described. Molecules of any element and kind, including ... -
Development of tools for evolutionary de novo design of molecules with improved properties
Abburu, Sailesh (Doctoral thesis at NTNU;2016:180, Doctoral thesis, 2016)Design and discovery of molecules using computers and particularly de novo based design has been in practice for many years. In such schemes, the algorithm to design the molecules and precise estimates their properties ...