ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases. - Gilles Klopman; Suman K. Chakravarti; Hao Zhu 012; Julian M. Ivanov; Roustem D. Saiakhov (J. Chem. Inf. Model., 2004)

Optimizing Predictive Performance of CASE Ultra Expert System Models Using the Applicability Domains of Individual Toxicity Alerts. - Suman K. Chakravarti; Roustem D. Saiakhov; Gilles Klopman (J. Chem. Inf. Model., 2012)

Descriptor Free QSAR Modeling Using Deep Learning With Long Short-Term Memory Neural Networks. - Suman K. Chakravarti; Sai Radha Mani Alla (Frontiers Artif. Intell., 2019)

Reason Vectors: Abstract Representation of Chemistry-Biology Interaction Outcomes, for Reasoning and Prediction. - Suman K. Chakravarti (J. Chem. Inf. Model., 2020)