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Molecular Informatics|September 7, 2017
Design, Synthesis, SAR and Molecular Modeling Studies of Novel Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives as Highly Potent Antimicrobial AgentsHakan Tahtaci, Hatice Karacık, Abdulilah Ece, et al.
Molecular Informatics|September 27, 2019
Analysis of the Acid/Base Profile of Natural Products from Different SourcesMarisa G Santibáñez-Morán, José L Medina-Franco
Molecular Informatics|April 5, 2017
Homology-based Modeling of Rhodopsin-like Family Members in the Inactive State: Structural Analysis and Deduction of Tips for Modeling and OptimizationMatteo Pappalardo, Mahmoud Rayan, Saleh Abu-Lafi, et al.
Molecular Informatics|September 20, 2019
Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit InterfacesLuka M Breberina, Mario V Zlatović, Milan R Nikolić, et al.
Molecular Informatics|October 8, 2019
Graph Classification of Molecules Using Force Field Atom and Bond TypesHideyuki Jippo, Tatsuru Matsuo, Ryota Kikuchi, et al.
Molecular Informatics|February 16, 2019
MLR, PLSR-BR Analysis and MBPLSR to Interpret Multivariate QSPR Models. The Case of a Micellar Liquid Chromatography Descriptor (log KWSDS )Giuseppe Ermondi, Giulia Caron
Molecular Informatics|June 16, 2025
Development of Machine Learning-Based Models for Mutagenicity Predictions with Applications to Non-Sugar SweetenersShilpayan Ghosh, Vinay Kumar, Kunal Roy
Molecular Informatics|June 16, 2025
Spherical GTM: A New Proposition for Visualization of Chemical DataFarah Asgarkhanova, Marcou Gilles, Mikhail Volkov, et al.
Molecular Informatics|March 18, 2025
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without EnumerationRegina Pikalyova, Tagir Akhmetshin, Dragos Horvath, et al.
Molecular Informatics|January 12, 2013
SARConnect: A Tool to Interrogate the Connectivity Between Proteins, Chemical Structures and Activity DataMats Eriksson, Ingemar Nilsson, Thierry Kogej, et al.
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