Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

• Main Authors: Alexey A. Lagunin (Author), Maria A. Romanova (Author), Anton D. Zadorozhny (Author), Natalia S. Kurilenko (Author), Boris V. Shilov (Author), Pavel V. Pogodin (Author), Sergey M. Ivanov (Author), Dmitry A. Filimonov (Author), Vladimir V. Poroikov (Author)
• Format: Book
• Published: Frontiers Media S.A., 2018-10-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Estimation of interaction of drug-like compounds with antitargets is important for the assessment of possible toxic effects during drug development. Publicly available online databases provide data on the experimental results of chemical interactions with antitargets, which can be used for the creat...