New similarity measures for ligand-based virtual screening

• Main Author: Himmat, Mubarak Hussein Ibrahim
• Format: Thesis
• Language: English
• Published: 2017
• Subjects: QA75 Electronic computers. Computer science
• Online Access: http://eprints.utm.my/id/eprint/81800/1/MubarakHusseinIbrahimPFC2017.pdf; http://eprints.utm.my/id/eprint/81800/; http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:126072
• Institution: Universiti Teknologi Malaysia

The process of drug discovery using virtual screening techniques relies on “molecular similarity principle” which states that structurally similar molecules tend to have similar physicochemical and biological properties in comparison to other dissimilar molecules. Most of the existing virtual screen...