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2020 – today
- 2023
[j3]Andrew D. McNaughton
, Rajendra P. Joshi, Carter R. Knutson, Fnu Anubhav, Kevin J. Luebke, Jeremiah P. Malerich, Peter B. Madrid, Neeraj Kumar:
Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties. J. Chem. Inf. Model. 63(5): 1462-1471 (2023)- [j2]Mario Latendresse, Jeremiah P. Malerich, James Herson, Markus Krummenacker, Judy Szeto, Vi-Anh Vu, Nathan Collins, Peter B. Madrid:
SynRoute: A Retrosynthetic Planning Software. J. Chem. Inf. Model. 63(17): 5484-5495 (2023) - 2022
- [c1]Fan Bai, Alan Ritter, Peter B. Madrid, Dayne Freitag, John Niekrasz:
SynKB: Semantic Search for Synthetic Procedures. EMNLP (Demos) 2022: 311-318 - [i2]Fan Bai, Alan Ritter, Peter B. Madrid, Dayne Freitag, John Niekrasz:
SynKB: Semantic Search for Synthetic Procedures. CoRR abs/2208.07400 (2022) - 2021
- [j1]Victor O. Gawriljuk, Phyo Phyo Kyaw Zin, Ana C. Puhl, Kimberley M. Zorn, Daniel H. Foil, Thomas R. Lane, Brett Hurst, Tatyana Almeida Tavella, Fabio Trindade Maranhão Costa, Premkumar Lakshmanane, Jean Bernatchez, Andre S. Godoy, Glaucius Oliva, Jair L. Siqueira-Neto, Peter B. Madrid, Sean Ekins:
Machine Learning Models Identify Inhibitors of SARS-CoV-2. J. Chem. Inf. Model. 61(9): 4224-4235 (2021)
2010 – 2019
- 2015
- [i1]Sean Ekins, Joel S. Freundlich, Alex M. Clark, Manu Anantpadma, Robert A. Davey, Peter B. Madrid:
Machine learning models identify molecules active against the Ebola virus in vitro. F1000Research 4: 1091 (2015)
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