J Bajorath - Journal of chemical information and computer …, 2001 - ACS Publications
… docking methods, which have been reviewed elsewhere. Fingerprint-based approaches to virtualscreening are a major focal point of this report. Nevertheless, recent advances in other …
… have explored six classificationmethods in various scenarios to develop good models for the above stated targets namely COX, LOX, NMDA and DHFR in virtualscreening. The three …
… methods that have been developed or adapted for molecule classification and virtualscreening (… are complementary to high-throughput screening (HTS). The discussion is limited to VS …
… they use differentalgorithms, it is possible to obtain different results from different software … In the last decade, a new technique of SBVS called consensus virtualscreening (CVS) has …
RN Jorissen, MK Gilson - Journal of chemical information and …, 2005 - ACS Publications
… for the classification of data into two categories and … virtualscreening for molecules with a desired activity. In contrast to typical applications of the SVM, we emphasize not classification …
DB Kitchen, H Decornez, JR Furr… - Nature reviews Drug …, 2004 - nature.com
… such as ligand- 4 or structure-based virtualscreening 7 techniques are widely used in many discovery efforts. One key methodology — docking of small molecules to protein binding …
… many structure-based virtualscreening approaches. However, … feasible virtual chemical libraries for virtualscreening calls for … as a powerful virtualscreeningmethodology that presents …
YO Adeshina, EJ Deeds… - Proceedings of the …, 2020 - National Acad Sciences
… , we show that more effective virtualscreening is attainable. We expect this insight to enable improved performance across diverse virtualscreening pipelines, thus helping to provide …
P Ripphausen, B Nisius, L Peltason… - Journal of medicinal …, 2010 - ACS Publications
… using the keyword “virtualscreening”. Journals containing “virtualscreening” papers were … From these journals, we extracted a total of 2995 “virtualscreening” papers that were then …