Tag Archives: Insilico

HitPick

HitPick is a web server that facilitates the analysis of chemical screenings by identifying hits and predicting their molecular targets. The target prediction functionality can also be used in a stand-alone fashion.

For hit identification, the widely used B-score method (1) is applied.

For target prediction, HitPick applies a new approach that combines two 2D molecular similarity based methods, namely, simple 1-Nearest-Neighbour (1NN) similarity searching (2) and a machine learning method based on Laplacian-modified naive Bayesian models (3). Baca lebih lanjut

Iklan

Tinggalkan komentar

Filed under In Silico

Virtual Ligand Screening – part one

2 Komentar

Filed under In Silico

Autodock Tutorial

Tinggalkan komentar

Filed under In Silico