2 papers
physics.chem-ph2013
Fragment Descriptors in Virtual Screening
Igor I. Baskin, Alexandre Varnek
This article reviews the application of fragment descriptors at different stages of virtual screening: filtering, similarity search, and direct activity assessment using QSAR/QSPR…
physics.chem-ph2013
Continuous Molecular Fields Approach Applied to Structure-Activity Modeling
Igor I. Baskin, Nelly I. Zhokhova
The Method of Continuous Molecular Fields is a universal approach to predict various properties of chemical compounds, in which molecules are represented by means of continuous fie…