Chemical Information and Computational Modeling of Targeting Hybrid Nucleic Acid Structures of PIM1 Sequences by Synthetic Pyrrole-Imidazole Carboxamide Drugs
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01500
Abstract: DNA can adopt various distinct structural motifs, such as quadruplex, duplex, i-motifs, etc. which have multifarious applications in biomedical therapeutics. Quadruplex-duplex hybrids (QDHs) consist of the juxtaposed quadruplex and duplex motifs and are thermally stable… read more here.
Keywords: information; pyrrole imidazole; quadruplex duplex; pim1 sequences ... See more keywords
Prediction of Drug-Induced Nephrotoxicity Using Chemical Information and Transcriptomics Data
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DOI: 10.1021/acs.jcim.5c00141
Abstract: Prediction of drug-induced nephrotoxicity is an important task in the drug discovery and development pipeline. Chemical information-based machine learning models are used in general for nephrotoxicity prediction as a part of computational modeling. Currently, gene… read more here.
Keywords: gene expression; chemical information; gene; prediction ... See more keywords
Representation of Molecules by Sequences of Instructions
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DOI: 10.1021/acs.jcim.5c00354
Abstract: The processing of chemical information by computational intelligence methods faces the challenge of the structural complexity of molecular graphs. These graphs are not amenable to being represented in a suitable way for such methods. The… read more here.
Keywords: molecules sequences; chemical information; language; representation molecules ... See more keywords
Optimal Descriptor Subset Search via Chemical Information and Target Activity-Guided Algorithm for Antimicrobial Peptide Prediction
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DOI: 10.1021/acs.jcim.5c00600
Abstract: Antimicrobial peptides (AMPs) have emerged as a promising alternative to conventional drugs due to their potential applications in combating multidrug-resistant pathogens. Various computational approaches have been developed for AMP prediction, ranging from shallow learning methods… read more here.
Keywords: information; chemical information; optimal descriptor; descriptor ... See more keywords
Expanding the chemical information science gateway
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DOI: 10.12688/f1000research.12772.1
Abstract: Broadly defined, chemical information science (CIS) covers chemical structure and data analysis including biological activity data as well as processing, organization, and retrieval of any form of chemical information. The CIS Gateway (CISG) of F1000Research… read more here.
Keywords: information; information science; chemical information; gateway ... See more keywords
Photoacoustic characterization of bone physico-chemical information.
Sign Up to like & getrecommendations! Published in 2022 at "Biomedical optics express"
DOI: 10.1364/boe.457278
Abstract: Osteoporosis usually alters the chemical composition and physical microstructure of bone. Currently, most clinical techniques for bone assessment are focused on the either bone microstructure or bone mineral density (BMD). In this study, a novel… read more here.
Keywords: bone; bone physico; physico chemical; chemical information ... See more keywords
Rapid Prediction of the Chemical Information of Wood Powder from Softwood Species Using Near-Infrared Spectroscopy
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DOI: 10.15376/biores.13.2.2440-2451
Abstract: Five different softwoods were used to investigate fast methods for predicting quantitative chemical information via near-infrared (NIR) spectroscopy. In biomass-related industries, fast collection of chemical information from a feedstock is needed. Prior to predicting quantitative… read more here.
Keywords: information; near infrared; chemical information; spectroscopy ... See more keywords
Catechol-Based Hydrogel for Chemical Information Processing
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DOI: 10.3390/biomimetics2030011
Abstract: Catechols offer diverse properties and are used in biology to perform various functions that range from adhesion (e.g., mussel proteins) to neurotransmission (e.g., dopamine), and mimicking the capabilities of biological catechols have yielded important new… read more here.
Keywords: information; redox; biology; catechol ... See more keywords
Metabolomic Strategies to Improve Chemical Information from OSMAC Studies of Endophytic Fungi
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DOI: 10.3390/metabo13020236
Abstract: Metabolomics strategies are important tools to get holistic chemical information from a system, but they are scarcely applied to endophytic fungi to understand their chemical profiles of biosynthesized metabolites. Here Penicillium sp. was cultured using… read more here.
Keywords: endophytic fungi; metabolomic strategies; strategies improve; chemical information ... See more keywords