about
227 Views of RNA: Is RNA Unique in Its Chemical Isomer Space?High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems.Beyond terrestrial biology: charting the chemical universe of α-amino acid structures.Extraordinarily adaptive properties of the genetically encoded amino acids.MOLGEN-CID--A canonizer for molecules and graphs accessible through the Internet.Small Molecule Identification with MOLGEN and Mass Spectrometry.Exploring astrobiology using in silico molecular structure generation.The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis.Automated strategies to identify compounds on the basis of GC/EI-MS and calculated properties.Computational exploration of the chemical structure space of possible reverse tricarboxylic acid cycle constituents.Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?y-Randomization and its variants in QSPR/QSAR.Molecules in silico: a graph description of chemical reactions.QSPR using MOLGEN-QSPR: the challenge of fluoroalkane boiling points.QSPR using MOLGEN-QSPR: the example of haloalkane boiling points.Exploring the limits of graph invariant- and spectrum-based discrimination of (sub)structures.Fast generation of regular graphs and construction of cagesMathematical Chemistry and ChemoinformaticsConsensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated PropertiesNine years of atmospheric remote sensing with sciamachy - atmospheric parameters and data productsAeolus End-To-End Simulator and Wind Retrieval Algorithms up to Level 1BFitting Cometary Sampling and Composition Mass Spectral Results Using Non-negative Least Squares: Reducing Detection Ambiguity for In Situ Solar System Organic Compound MeasurementsData Processing and ProductsPositively homogeneous functions in atmospheric radiative transfer theoryStructure Enumeration and SamplingConstrained generation of molecular graphsMathematics for Combinatorial ChemistryAlgorithms for group actions applied to graph generation2D QSAR of PPARγ agonist binding and transactivationChemInform Abstract: Exploring the Limits of Graph Invariant- and Spectrum-Based Discrimination of (Sub)structuresMolecules in Silico: The Generation of Structural Formulae and Its ApplicationsMolecules in silico: A Graph Description of Chemical ReactionsQSPR Using MOLGEN-QSPR: The Challenge of Fluoroalkane Boiling PointsQSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling PointsAdaptive Properties of the Genetically Encoded Amino Acid Alphabet Are Inherited from Its Subsets
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