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Publications for BitterDB
e Bitter: Bitterant Prediction by the Consensus Voting From the Machine Learning Methods
[…] rs (Huang et al., ). In their study, the dataset is composed of 539 bitterants and 539 non-bitterants. Five hundred thirty-nine bitterrants are gathered from the literature and the publicly available BitterDB (Wiener et al., ). For 539 non-bitterants, 20 non-bitterants are from their in-house bitterless compounds validated by the experiments, and 519 non-bitterants are the representative structure […]
Molecular Features Underlying Selectivity in Chicken Bitter Taste Receptors
[…] BitterDB compounds were prepared with LigPrep (version 3.6, Schrödinger, LLC, New York, NY, 2015) through the generation of stereoisomers and protonation states at pH 7 ± 0.5 and then with Phase (vers […]
Bitter or not? BitterPredict, a tool for predicting taste from chemical structure
[…] Training and test sets generated and/or analysed in the current study are available from the corresponding author upon reasonable request.Matlab code for BitterPredict is provided via BitterDB http://bitterdb.agri.huji.ac.il/dbbitter.php#BitterPredict and via GitHub repository https://github.com/Niv-Lab/BitterPredict1. The allowed input is CSV or Excel file holding QikProp and phys […]
Ligand binding modes from low resolution GPCR models and mutagenesis: chicken bitter taste receptor as a test case
[…] chloroquin, chloramphenicol, and coumarin were analyzed as ggTas2r1 agonists. The 3D molecular structures of these compounds were downloaded from the publicly accessible electronic database, chicken BitterDB (http://bitterdb/dbbitter.php?mode_organism=Chicken), and prepared (through the generation of stereoisomers and protonation states at pH 7 ± 0.5) with LigPrep (version 3.6, Schrödinger, LLC, […]
Expanding the fragrance chemical space for virtual screening
[…] as used. Both datasets were combined and checked for duplicates to a final list of 1760 fragrance molecule structures. For TasteDB structure representations were retrieved from the browsing option of BitterDB  and from the Sweet-tree of SuperSweet . Both datasets were combined and checked for duplicates to a final list of 806 taste structures. […]
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