19 research outputs found
A fully reversible data transform technique enhancing data compression of SMILES data
No full textnoThe requirement to efficiently store and process SMILES data used in Chemoinformatics creates a demand for efficient techniques to compress this data. General-purpose transforms and compressors are available to transform and compress this type of data to a certain extent, however, these techniques are not specific to SMILES data. We develop a transform specific to SMILES data that can be used alongside other general-purpose compressors as a preprocessor and post-processor to improve the compression of SMILES data. We test our transform with six other general-purpose compressors and also compare our results with another transform on our SMILES data corpus, we also compare our results with untransformed data
Blind and Visually Impaired Students Can Perform Computer-Aided Molecular Design with an Assistive Molecular Fabricator
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Pharmacological Evaluation of Abietane Diterpenoids from Plectranthus bishopianus as Potent Antibacterial, Antioxidant and Their Cytotoxic Agents
No full textSimulation of the Adsorption of Polychlorinated Aromatic Hydrocarbons on Graphitized Thermal Carbon Black for Predicting Chromatographic Retention Values
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Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach
No full textForging New Scaffolds from Old: Combining Scaffold Hopping and Hierarchical Virtual Screening for Identifying Novel Bcl-2 Inhibitors
No full textAdsorption of carbon monoxide on boroxol-ring-doped zigzag boron nitride nanotube: Electronic study via DFT
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