Boosting the Prediction Accuracy of Glass Transition Temperature in Polyimides: A Hybrid Machine Learning Approach Integrating Morgan Fingerprints and Molecular Descriptors. [PDF]
Mol InformXing P +8 more
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Evaluation of Machine Learning Models for Condition Optimization in Diverse Amide Coupling Reactions. [PDF]
ACS OmegaChalasani AS +5 more
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Algorithms for fingerprints recognition are already known for long time and there is also an effort for their best optimization. This master's thesis is dealing with an opposite approach, where the fingerprints are not being recognized, but are generated
Chaloupka, Radek
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Selection profiles in RNA viruses reflect the characteristics of viruses more than individual proteins. [PDF]
PLoS PathogMuñoz-Baena L +7 more
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Ligand Design Using Unique Conformations to Preferentially Dock a Specific Site on Collagen-Bound MMP1. [PDF]
Biology (Basel)Nash A, Harms C, Sarkar SK.
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Optical Detection of Latent Fingerprints via SBA-15/PhCN Visible-Light-Active Material. [PDF]
ACS OmegaRusta N +9 more
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Emerging Extraction Technologies and Molecular Implications for Greek Olive Products: A Commentary. [PDF]
MoleculesAthanasiadis V.
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Brain network dynamics reflect psychiatric illness status and transdiagnostic symptom profiles across health and disease. [PDF]
Nat CommunCocuzza CV +6 more
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Integrating multi-type features and knowledge graph for graded prediction of drug-induced liver injury in humans. [PDF]
PLoS Comput BiolLiu Y, Hu K, Geng J, Dai Q, Wei L, Su R.
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Identification of Bacteria and Viruses by Pyrolysis-Gas Chromatography-Ion Mobility Spectrometry. [PDF]
Anal ChemRöckrath D +11 more
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