Fragment-based De Novo Design of Drug-like Molecules
Ewgenij Proschak, Yusuf Tanrikulu, Gisbert Schneider · Royal Society of Chemistry eBooks · 2008
Automated molecular de novo design has been an active research area in cheminformatics since the early 1990s.1–3 Academic researchers and molecular design groups in pharmaceutical industry alike have come up with numerous software solutions and implementations. The basic idea is to assemble molecula...