Akademik Veri Yönetim Sistemi
27th Conference on Intellient Systems for Molecular Biology and 18th European Conference on Computational Biology, Basel, İsviçre, 21 - 25 Temmuz 2019
Visualization and interpretation of high-dimensional chemical compound
and target space is critical for better understanding of the mechanisms
of bioactivity space and drug discovery process. Here, we describe
iBioProVis, which projects and visualizes compounds on 2D space based on
their structural features in the context of their cognate targets. The
inputs are pairs of ChEMBL target identifiers and the output is the 2D
projection plot of the active compounds of the input targets. By looking
at the distribution of compounds(i.e.,points) in a projection, the user
can infer that compounds that are close to each other may possess
similar binding characteristics. One of the interesting additional
feature is that the user can also provide a list of SMILES strings as
input. By this way, the user can observe the projection of these
compounds along with the projections of previously reported active
compounds of the selected targets. iBioProVis provides an interactive
environment where users can select different compounds and get several
information about them. iBioProVis also provides cross-references to
well-known databases so that users can easily relate the entities and
navigate to those databases by clickable links. iBioProVis is freely
available at http://ibioprovis.kansil.org/.