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ACS Omega|July 20, 2018
Distributed Representation of Chemical FragmentsSuman K Chakravarti
Journal of Chemical Information and Modeling|September 22, 2020
Reason Vectors: Abstract Representation of Chemistry-Biology Interaction Outcomes, for Reasoning and PredictionSuman K Chakravarti
Bioorganic & Medicinal Chemistry|February 5, 2008
A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell linesSuman K Chakravarti, Gilles Klopman
Mutagenesis|October 23, 2018
Computing similarity between structural environments of mutagenicity alertsSuman K Chakravarti, Roustem D Saiakhov
Methods in Molecular Biology (Clifton, N.J.)|February 21, 2022
MultiCASE Platform for In Silico ToxicologySuman K Chakravarti, Roustem D Saiakhov
Frontiers in Artificial Intelligence|March 18, 2021
Descriptor Free QSAR Modeling Using Deep Learning With Long Short-Term Memory Neural NetworksSuman K Chakravarti, Sai Radha Mani Alla
Journal of Chemical Information and Modeling|September 6, 2012
Optimizing predictive performance of CASE Ultra expert system models using the applicability domains of individual toxicity alertsSuman K Chakravarti, Roustem D Saiakhov, Gilles Klopman
Journal of Chemical Information and Computer Sciences|March 23, 2004
ESP: a method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databasesGilles Klopman, Suman K Chakravarti, Hao Zhu, et al.
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