Benchmarking platform for ligand-based virtual screening

By Petr Skoda, David Hoksza. 2016

6 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Pharmacology

Citations in the corpus

• Machine learning unifies the modeling of materials and molecules (2017, neutral): “…binding with a typical accuracy of 95%, which goes up to 98% when 60 training examples are used and 99% when using an FPS training set selection strategy — significantly sur-passing the performance of other methods that have been recently introduced to perform similar predictions ( 33 – 35 ).”