- Publication
- Mar 8, 2023
Design and Synthesis of Novel Oxime Ester Photoinitiators Augmented by Automated Machine Learning
Won Jung Lee, et al. Chemistry of Materials, 2022, 34(1), 116-127- Publication
- May 2, 2022
A Descriptor Set for Quantitative Structure-Property Relationship Prediction in Biologics
Kannan Sankar, et al. Mol Inform, 2022- Publication
- Aug 12, 2020
Digitalisierung: molekulares Design plattformisieren
Scarbath-Evers, et al. Nachrichten aus der Chemie, 2020, Jul (68), 34-36- Publication
- Nov 11, 2016
Automated Protocol for Large-Scale Modeling of Gene Expression Data
Hall, et al. J. Chem. Inf. Model., 2016, 56 (11), 2216-2224- Publication
- Sep 20, 2016
AutoQSAR: An Automated Machine Learning Tool for Best-Practice QSAR Modeling
Dixon, et al. Future Med. Chem., 2016, 8 (15), 1825-1839- Publication
- Sep 8, 2015
Kernel-based partial least squares: Application to fingerprint-based QSAR with model visualization
An, et al. J. Chem. Inf. Model., 2013, 53(9), 2312-2321
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