ArticleNucleic acids research2021
VirtualTaste: a web server for the prediction of organoleptic properties of chemical compounds.
Article in Nucleic acids research, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- FlavorGPN: a graph neural network for multi-label molecular flavor prediction.Molecular diversity · 2026Article
- Molecular and Computational Basis of Taste Perception: A Review toward the "Digital Language of Taste".ACS omega · 2026Review
- Bitter Taste Signalling via TAS2R43 Enhances Temozolomide Efficacy in Glioblastoma Cells.International journal of molecular sciences · 2026Article
- Taste and odor metabolomics ofFrontiers in nutrition · 2026Article
- A chemical language model for molecular taste prediction.NPJ science of food · 2025Article
- A systematic review of data and models for predicting food flavor and texture.Current research in food science · 2025Review
- FlavorMiner: a machine learning platform for extracting molecular flavor profiles from structural data.Journal of cheminformatics · 2024Article
- Metabolite Profiling and Identification of Sweet/Bitter Taste Compounds in the Growth ofFoods (Basel, Switzerland) · 2024Article
- Predicting multiple taste sensations with a multiobjective machine learning method.NPJ science of food · 2024Article
- Integrating Computational and Experimental Methods to Identify Novel Sweet Peptides from Egg and Soy Proteins.International journal of molecular sciences · 2024Article
- Critical View on the Qualification of Electronic Tongues Regarding Their Performance in the Development of Peroral Drug Formulations with Bitter Ingredients.Pharmaceutics · 2024Review
- Predicting and improving complex beer flavor through machine learning.Nature communications · 2024Article
- A Comprehensive Comparative Analysis of Deep Learning Based Feature Representations for Molecular Taste Prediction.Foods (Basel, Switzerland) · 2023Article
- Paediatric Medicinal Formulation Development: Utilising Human Taste Panels and Incorporating Their Data into Machine Learning Training.Pharmaceutics · 2023Review
- Data-Driven Elucidation of Flavor Chemistry.Journal of agricultural and food chemistry · 2023Review
- Review
- SuperNatural 3.0-a database of natural products and natural product-based derivatives.Nucleic acids research · 2023Article
- Informed classification of sweeteners/bitterants compounds via explainable machine learning.Current research in food science · 2022Article
- A survey on computational taste predictors.European food research and technology = Zeitschrift fur Lebensmittel-Untersuchung und -Forschung. A · 2022Review
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Taste is one of the crucial organoleptic properties involved in the perception of food by humans. Taste of a chemical compound present in food stimulates us to take in food and avoid poisons. Bitter taste of drugs presents compliance problems and early flagging of potential bitterness of a drug candidate may help with its further development. Similarly, the taste of chemicals present in food is important for evaluation of food quality in the industry. In this work, we have implemented machine learning models to predict three different taste endpoints-sweet, bitter and sour. The VirtualTaste models achieved an overall accuracy of 90% and an AUC of 0.98 in 10-fold cross-validation and in an independent test set. The web server takes a two-dimensional chemical structure as input and reports the chemical's taste profile for three tastes-using molecular fingerprints along with confidence scores, including information on similar compounds with known activity from the training set and an overall radar chart. Additionally, insights into 25 bitter receptors are also provided via target prediction for the predicted bitter compounds. VirtualTaste, to the best of our knowledge, is the first freely available web-based platform for the prediction of three different tastes of compounds. It is accessible via http://virtualtaste.charite.de/VirtualTaste/without any login requirements and is free to use.
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