Implementing relevance feedback in ligand-based virtual screening using Bayesian inference network
Recently, the use of the Bayesian network as an alternative to existing tools for similarity-
based virtual screening has received noticeable attention from researchers in the …
based virtual screening has received noticeable attention from researchers in the …
Ligand‐based virtual screening using Bayesian inference network and reweighted fragments
Many of the similarity‐based virtual screening approaches assume that molecular fragments
that are not related to the biological activity carry the same weight as the important ones …
that are not related to the biological activity carry the same weight as the important ones …
An enhancement of bayesian inference network for ligand-based virtual screening using features selection
Abstract Similarity based Virtual Screening (VS) deals with a large amount of data
containing irrelevant and/or redundant fragments or features. Recent use of Bayesian …
containing irrelevant and/or redundant fragments or features. Recent use of Bayesian …
Ligand-based virtual screening using bayesian networks
A Bayesian inference network (BIN) provides an interesting alternative to existing tools for
similarity-based virtual screening. The BIN is particularly effective when the active molecules …
similarity-based virtual screening. The BIN is particularly effective when the active molecules …
Similarity‐based virtual screening with a Bayesian inference network
A Abdo, N Salim - ChemMedChem: Chemistry Enabling Drug …, 2009 - Wiley Online Library
An inference network model for molecular similarity searching: The similarity search problem
is modeled using inference or evidential reasoning under uncertainty. The inference network …
is modeled using inference or evidential reasoning under uncertainty. The inference network …
New fragment weighting scheme for the bayesian inference network in ligand-based virtual screening
A Abdo, N Salim - Journal of chemical information and modeling, 2011 - ACS Publications
Many of the conventional similarity methods assume that molecular fragments that do not
relate to biological activity carry the same weight as the important ones. One possible …
relate to biological activity carry the same weight as the important ones. One possible …
Ligand expansion in ligand-based virtual screening using relevance feedback
Query expansion is the process of reformulating an original query to improve retrieval
performance in information retrieval systems. Relevance feedback is one of the most useful …
performance in information retrieval systems. Relevance feedback is one of the most useful …
Evaluation of a Bayesian inference network for ligand-based virtual screening
Background Bayesian inference networks enable the computation of the probability that an
event will occur. They have been used previously to rank textual documents in order of …
event will occur. They have been used previously to rank textual documents in order of …
Fragment reweighting in ligand-based virtual screening
Many methods have developed to capture the biological similarity between two compounds
for use in drug discovery. A variety of similarity metrics have introduced, Tanimoto coefficient …
for use in drug discovery. A variety of similarity metrics have introduced, Tanimoto coefficient …
Performance of machine learning methods for ligand-based virtual screening
D Plewczynski, SAH Spieser… - Combinatorial chemistry & …, 2009 - ingentaconnect.com
Computational screening of compound databases has become increasingly popular in
pharmaceutical research. This review focuses on the evaluation of ligand-based virtual …
pharmaceutical research. This review focuses on the evaluation of ligand-based virtual …