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ChemAxon LLC jchem for excel software
Jchem For Excel Software, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/jchem+for+excel/jchem+for+excel/pm40455104-160-32-35
Average 90 stars, based on 1 article reviews
jchem for excel software - by Bioz Stars, 2026-11
90/100 stars

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Article Title: Design, synthesis and evaluation of new methyl piperazine derivatives as anticancer agents
Article Snippet: For docking, Glide XP of Schrodinger suite was used and physicochemical properties of the compounds were predicted using Chemaxon Jchem for Excel.

Article Title: The Importance of Atomic Charges for Predicting Site-Selective Ir-, Ru-, and Rh-Catalyzed C–H Borylations
Article Snippet: The charges on the hydrogen and carbon atoms at the potential C–H borylation site, as well as the carbon atom charge with the hydrogens summed (referred to as “heavy atom charges”) were computed using each of the following atomic charge calculation methods: Mulliken population analysis, natural population analysis (NPA), the minimal basis set (MBS) method, Hirshfeld population analysis, Charge Model-5 (CM-5), and the Charges from Electrostatic Potentials using a Grid-based method (ChelpG)., − Mordred descriptors (∼1600) were calculated for each substrate using the Python-based RDKit library package, , and JChem for Excel by ChemAxon was used to calculate additional numerical descriptors, including Topological Steric Effect Index (TSEI) and atomic/molecular polarizability.

Article Title: Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.
Article Snippet: The kill rate, as measured by the parasite reduction ratio (Log PRR for 65 and 82 was 3.1 and 2.9, respectively), was slower than for the pyrimethamine control (Log PRR = 3.5), but similar to prior reports for 1 (Log PRR = 3.1),21 confirming the expected slow kill mechanism for a DHODH inhibitor. aLogD7.4 calculated using ChemAxon JChem for Excel, ver.

Article Title: The Importance of Atomic Charges for Predicting Site-Selective Ir-, Ru-, and Rh-Catalyzed C-H Borylations.
Article Snippet: The charges on the hydrogen and carbon atoms at the potential C−H borylation site, as well as the carbon atom charge with the hydrogens summed (referred to as “heavy atom charges”) were computed using each of the following atomic charge calculation methods: Mulliken population analysis, natural population analysis (NPA), the minimal basis set (MBS) method, Hirshfeld population analysis, Charge Model-5 (CM5), and the Charges from Electrostatic Potentials using a Gridbased method (ChelpG).61,97−102 Mordred descriptors (∼1600) were calculated for each substrate using the Python-based RDKit library package,103,104 and JChem for Excel by ChemAxon was used to calculate additional numerical descriptors,105 including Topological Steric Effect Index (TSEI) and atomic/molecular polarizability.106 Each of the chemoinformatic descriptors was compiled into a Pandas DataFrame, totaling 1680 columns.

Article Title: Comparison and diversity of phytochemical profiles of Spondias mombin and S. tuberosa using LC-MS and multivariate statistical analysis
Article Snippet: The species Spondias mombin and Spondias tuberosa are fruit plants from the family Anacardiaceae, and the fruits of these plants are popularly known as “cajá” and “umbu”, respectively, and are marketed as exotic fruits in Brazil.. The promoted marketing of these species in the market is hampered by their genetic variability and a lack of knowledge of techniques for reproduction, harvesting, and conservation.. Therefore, active germplasm banks (AGBs) were created by The Brazilian Agricultural Research Corporation (EMBRAPA) to conserve genetic resources and optimize the use of these species.

Article Title: Fate of persistent and mobile chemicals in the water cycle: From municipal wastewater discharges to river bank filtrate.
Article Snippet: Chemaxon (Budapest, Hungary) is acknowledged for providing an academic license of JChem for Excel.

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Article Title: Identification of Emerging Novel Psychoactive Substances by Retrospective Analysis of Population-Scale Mass Spectrometry Data Sets
Article Snippet: .. Briefly, molecular descriptors were generated for each input molecule in SMILES format using JChem for Excel (ChemAxon) and provided as input to an artificial neural network, along with one-hot encodings of the liquid chromatography conditions. ..

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Article Title: Identification of Emerging Novel Psychoactive Substances by Retrospective Analysis of Population-Scale Mass Spectrometry Data Sets
Article Snippet: .. Briefly, molecular descriptors were generated for each input molecule in SMILES format using JChem for Excel (ChemAxon) and provided as input to an artificial neural network, along with one-hot encodings of the liquid chromatography conditions. ..



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