Freely available conformer generation methods: how good are they?

Conformer generation has important implications in cheminformatics, particularly in computational drug discovery where the quality of conformer generation software may affect the outcome of a virtual screening exercise. We examine the performance of four freely available small molecule conformer gen...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Ebejer, J, Morris, G, Deane, C
Aineistotyyppi: Journal article
Kieli:English
Julkaistu: 2012