… descriptors and various prediction techniques. Finally, we employed our new virtual
screening tool to identify potential frequent hitters in several compound databases: the Available …

… virtual screening campaign within a state-of-the-art approach are summarized. These include
the definition of the target, the preparation of the compound library, … from a virtual screening …

… methods for virtual screening of pharmacodynamically active compounds from large compound
libraries, … as pharmacophore and clustering) virtual screening methods. The feasibility to …

… With the aid of a large set of compounds tested by patch-clamping over several years of … ,
virtual screening method for the prediction of the hERG blocking potential of new compounds. …

… ) as virtual screening tools for searching Src inhibitors from large compound libraries. SVM
… 168 K MDDR, and 719 (7.73%) of 9,305 MDDR compounds similar to the known inhibitors. …

… methods that have been developed or adapted for molecule classification and virtual screening
(VS) of compound … of compound libraries by computational means for screening in order …

… compounds that exist in a particular collection. The development of virtual screening methods
… filters, compared with other compound libraries and properties can be profiled extensively. …

… of compounds in synthetically feasible virtual chemical libraries for virtual screening calls for
… Here we discuss the use of chemoinformatics as a powerful virtual screening methodology …

… virtual screening field. A number of challenges will be highlighted that virtual screening will
likely face when compound … , the compound class-dependence of similarity methods needs to …

… virtual screening (SBVS). In addition, massive test sets for SBVS, known as ultra-large
compound libraries, … We found that screening a larger compound library results in more potent …