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Journal of Chemical Information and Modeling|August 10, 2025
Advancing Aqueous Solubility Prediction: A Machine Learning Approach for Organic Compounds Using a Curated Data SetMushtaq Ali, Sylvia Vanderheiden, Christoph W Grathwol, et al.
Journal of Cheminformatics|February 26, 2025
Infrared spectrum analysis of organic molecules with neural networks using standard reference data sets in combination with real-world dataDev Punjabi, Yu-Chieh Huang, Laura Holzhauer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 7, 2005
Comparison of stochastic optimization methods for all-atom folding of the Trp-Cage proteinAlexander Schug, Thomas Herges, Abhinav Verma, et al.
International Journal of Molecular Sciences|December 11, 2022
Hierarchical Coarse-Grained Strategy for Macromolecular Self-Assembly: Application to Hepatitis B Virus-Like ParticlesPhilipp Nicolas Depta, Maksym Dosta, Wolfgang Wenzel, et al.
Physical Chemistry Chemical Physics : PCCP|January 13, 2010
Influence of endohedral water on diameter sorting of single-walled carbon nanotubes by density gradient centrifugationA Quintillá, F Hennrich, S Lebedkin, et al.
Frontiers in Chemistry|February 4, 2022
Systematic kMC Study of Doped Hole Injection Layers in Organic ElectronicsAli Deniz Özdemir, Simon Kaiser, Tobias Neumann, et al.
The Journal of Organic Chemistry|June 21, 2003
meso-Tetrahydropyranylperoxides: molecular structures in solution, in the crystal, and by DFT calculations and their isomerization to the racemateTeodor Silviu Balaban, Andreas Eichhöfer, Ion Ghiviriga, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|May 5, 2021
DNA Binding to the Silica: Cooperative Adsorption in ActionSaientan Bag, Stefan Rauwolf, Sebastian P Schwaminger, et al.
Angewandte Chemie (International Ed. in English)|February 1, 2022
MOF Synthesis Prediction Enabled by Automatic Data Mining and Machine LearningYi Luo, Saientan Bag, Orysia Zaremba, et al.
Immunology Letters|June 28, 2019
Trends in therapeutic antibody affinity maturation: From in-vitro towards next-generation sequencing approachesMaryam Tabasinezhad, Yeganeh Talebkhan, Wolfgang Wenzel, et al.
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