Development of methods for de novo design of functional drugs and catalyst compounds
Has parts
Chu, Yunhan; Alsberg, Bjørn K.. GeneGear: An Open Source Software for Computer-Based de novo Design. .Chu, Chunmei; Alsberg, Bjørn Kåre. A knowledge-based approach for screening chemical structures within de novo molecular evolution. Journal of Chemometrics. (ISSN 0886-9383): 399-407, 2010. 10.1002/cem.1283.
Chu, Yunhan; Heyndrickx, Wouter; Occhipint, Giovanni; Jensen, Vidar R.; Alsberg, Bjørn K.. De nova Optimization of Functional Coordination Using a Fragment-Based Evolutionary Algorithm. .