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Molecular Informatics|February 22, 2017
Screening for High Conductivity/Low Viscosity Ionic Liquids Using Product DescriptorsShawn Martin, Harry D Pratt, Travis M Anderson
Molecular Informatics|November 22, 2016
Building Compound Archives for the FutureRichard Lewis, Joakim Deheuvels, Peter Ertl, et al.
Molecular Informatics|November 22, 2016
Multiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCRRobert Charles Glen, Warren R J D Galloway, David R Spring, et al.
Molecular Informatics|November 22, 2016
The Art of Compiling Protein Binding Site EnsemblesStefan Bietz, Rainer Fährrolfes, Matthias Rarey
Molecular Informatics|November 22, 2016
Materials Informatics: Statistical Modeling in Material ScienceAbraham Yosipof, Klimentiy Shimanovich, Hanoch Senderowitz
Molecular Informatics|August 28, 2022
A Scaffold-based Deep Generative Model Considering Molecular Stereochemical InformationTianxu Xu, Minjun Wang, Xiaoqian Liu, et al.
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