A Computational Model Predicting Disruption of Blood Vessel Development. - Nicole C. Kleinstreuer; David Dix; Michael Rountree; Nancy Baker 001; Nisha Sipes; David M. Reif; Richard Spencer; Thomas Knudsen (PLoS Comput. Biol., 2013)

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals. - Rodolpho C. Braga; Vinicius M. Alves; Eugene N. Muratov; Judy Strickland; Nicole C. Kleinstreuer; Alexander Tropsha; Carolina Horta Andrade (J. Chem. Inf. Model., 2017)

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning. - Qingda Zang; Kamel Mansouri; Antony J. Williams; Richard S. Judson; David G. Allen; Warren M. Casey; Nicole C. Kleinstreuer (J. Chem. Inf. Model., 2017)

Unsupervised Identification of Study Descriptors in Toxicology Research: An Experimental Study. - Drahomira Herrmannova; Steven Robert Young; Robert M. Patton; Christopher G. Stahl; Nicole C. Kleinstreuer; Mary S. Wolfe (Louhi@EMNLP, 2018)

Exploring drug space with ChemMaps.com. - Alexandre Borrel; Nicole C. Kleinstreuer; Denis Fourches (Bioinform., 2018)

SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. - Domenico Gadaleta; Kristijan Vukovic; Cosimo Toma; Giovanna J. Lavado; Agnes L. Karmaus; Kamel Mansouri; Nicole C. Kleinstreuer; Emilio Benfenati; Alessandra Roncaglioni (J. Cheminformatics, 2019)

Open-source QSAR models for pKa prediction using multiple machine learning approaches. - Kamel Mansouri; Neal F. Cariello; Alexandru Korotcov; Valery Tkachenko; Christopher M. Grulke; Catherine S. Sprankle; David G. Allen; Warren M. Casey; Nicole C. Kleinstreuer; Antony J. Williams (J. Cheminformatics, 2019)

Bringing Big Data to Bear in Environmental Public Health: Challenges and Recommendations. - Saskia Comess; Alexia Akbay; Melpomene Vasiliou; Ronald N. Hines; Lucas Joppa; Vasilis Vasiliou; Nicole C. Kleinstreuer (Frontiers Artif. Intell., 2020)

Tox21BodyMap: a webtool to map chemical effects on the human body. - Alexandre Borrel; Scott S. Auerbach; Keith A. Houck; Nicole C. Kleinstreuer (Nucleic Acids Res., 2020)

InterPred: a webtool to predict chemical autofluorescence and luminescence interference. - Alexandre Borrel; Kamel Mansouri; Sue Nolte; Trey Saddler; Mike Conway; Charles Schmitt; Nicole C. Kleinstreuer (Nucleic Acids Res., 2020)

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. - Sankalp Jain; Vishal B. Siramshetty; Vinicius M. Alves; Eugene N. Muratov; Nicole C. Kleinstreuer; Alexander Tropsha; Marc C. Nicklaus; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2021)

ChemMaps.com v2.0: exploring the environmental chemical universe. - Alexandre Borrel; Mike Conway; Sue Nolte; Aswani Unnikrishnan; Charles Schmitt; Nicole C. Kleinstreuer (Nucleic Acids Res., 2023)

BioBricks.ai: A Versioned Data Registry for Life Sciences Data Assets. - Yifan Gao; Zakariyya Mughal; Jose A. Jaramillo-Villegas; Marie Corradi; Alexandre Borrel; Ben Lieberman; Suliman Sharif; John Shaffer; Karamarie Fecho; Ajay Chatrath; Alexandra Maertens; Marc A. T. Teunis; et al. (CoRR, 2024)

Computational application of internationally harmonized defined approaches to skin sensitization: DASS App. - Kimberly To; Judy Strickland; Emily Reinke; Alexandre Borrel; Jim Truax; Heather Maldonado; David G. Allen; Nicole C. Kleinstreuer (BMC Bioinform., 2024)

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. - Kamel Mansouri; José Teófilo Moreira-Filho; Charles N. Lowe; Nathaniel Charest; Todd M. Martin; Valery Tkachenko; Richard S. Judson; Mike Conway; Nicole C. Kleinstreuer; Antony J. Williams (J. Cheminformatics, 2024)

Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow. - José Teófilo Moreira-Filho; Dhruv Ranganath; Mike Conway; Charles Schmitt; Nicole C. Kleinstreuer; Kamel Mansouri (J. Cheminformatics, 2024)