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WDL-RF / weighted deep learning and random forest
Assesses bioactivities of ligands interacting with G protein-coupled receptors (GPCRs). WDL-RF is a web application based on a weighted deep learning (WDL) associated with a random forest (RF) regression model. The platform includes the possibility to install the software locally for allowing users to determine bioactivities of specific compounds against a GPCR target, elaborate their own virtual screening models or to create molecular fingerprints for new compounds.
Allows extraction of data from the ‘Open Pharmacological Space’ (OPS) developed by the Open PHACTS project. Collector is an application that extracts series of compounds from OPS, together with the result of pharmacological/toxicological experiments. The software applies customizable curation filters, produces series of compounds in a format well suited for the development of quantitative structure-activity relationships (QSAR models). It was used in the eTOX project for the development of QSAR models against targets considered of toxicological interest (anti-targets).
BioAssay Express
Annotates bioassay protocols by using semantic web terms. BioAssay Express enables searching, sorting, clustering and analyzing of assays without needing to read through the original text. This software exploits a Common Assay Template based on underlying vocabularies and semantic standards from BioAssay Ontology, Drug Target Ontology, Cell Line Ontology and others. Users can also identify similar assays and examine the similarity of assays between and within organizations.
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