Publications

BitterSweet: Building machine learning models for predicting the bitter and sweet taste of small molecules

Published in Scientific Reports, Nature, 2019

BitterSweet models publicly available, and present an end-to-end software for bitter-sweet taste prediction based on freely available chemical descriptors.

Recommended citation: Rudraksh Tuwani, Somin Wadhwa, Ganesh Bagler. (2019). "BitterSweet: Building machine learning models for predicting the bitter and sweet taste of small molecules." Scientific Reports, Nature. 7155 (2019). https://www.nature.com/articles/s41598-019-43664-y

A hierarchical anatomical classification schema for prediction of phenotypic side effects

Published in PLoS One, 2018

Prediction of adverse drug reactions is an important problem in drug discovery endeavors which can be addressed with data-driven strategies

Recommended citation: Wadhwa S, Gupta A, Dokania S, Kanji R, Bagler G (2018) " A hierarchical anatomical classification schema for prediction of phenotypic side effects. " PLOS ONE. 13(3): e0193959. https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0193959