44 citations · 240 across the 10 of their papers we have counts for
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q-bio.QM2020★ 4 cited
Explaining Chemical Toxicity using Missing Features
Kar Wai Lim, Bhanushee Sharma, Payel Das +2
Chemical toxicity prediction using machine learning is important in drug development to reduce repeated animal and human testing, thus saving cost and time. It is highly recommende…
cs.LG2020★ 36 cited
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
Vijil Chenthamarakshan, Payel Das, Samuel C. Hoffman +8
The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Ge…