jchem calculator plugin (ChemAxon LLC)
90
Structured Review
ChemAxon LLC
jchem calculator plugin
Jchem Calculator Plugin, 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+calculator+plugin/jchem+calculator+plugins/pm39722134-49-22-25
Average 90 stars, based on 1 article reviews
Jchem Calculator Plugin, 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+calculator+plugin/jchem+calculator+plugins/pm39722134-49-22-25
Average 90 stars, based on 1 article reviews
jchem calculator plugin - by Bioz Stars,
2026-11
90/100 stars
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other:Article Title: In Vivo Nerve-Specificity of Rhodamines and Si-rhodamines Article Snippet: Physicochemical property calculations were completed using Marvin and Generated:Article Title: Assessment of tautomer distribution using the condensed reaction graph approach. Article Snippet: We report the first direct QSPR modeling of equilibrium constants of tautomeric transformations (logKT) in different solvents and at different temperatures, which do not require intermediate assessment of acidity (basicity) constants for all tautomeric forms.. The key step of the modeling consisted in the merging of two tautomers in one sole molecular graph (“condensed reaction graph”) which enables to compute molecular descriptors characterizing entire equilibrium.. The support vector regression method was used to build the models. In Silico:Article Title: Microwave-Assisted Synthesis of the Red-Shifted Pentamethine Tetrahydroxanthylium Core with Absorbance within the Near Infrared-II Window. Article Snippet: 2022, 5, 963−972 970 OceanOptics Flame NIR-II spectrofluorometer (950−1650 nm). .. In silico calculations of the physicochemical distribution coefficient (log D at pH 7.4) were calculated using Marvin and Article Title: Enhanced Tumor Uptake and Retention of Cyanine Dye-Albumin Complex for Tumor-Targeted Imaging and Phototherapy. Article Snippet: .. In silico calculations of the distribution coefficient (logD at pH 7.4), topological polar surface area (TPSA), and hydrogen bond acceptors/donors (HBA/HBD) were performed using Marvin and Article Title: A Three-In-One Heptamethine Cyanine Dye Induces Endoplasmic Reticulum Stress and Apoptosis in Colorectal Cancer. Article Snippet: One of the most significant challenges for image-guided cancer-targeted therapy is to develop multifunctional optical contrast agents enabling simultaneous targeting and therapy.. Herein, a feasible strategy is based on the incorporation of therapeutic moieties into the non-delocalized structure of polymethine indocyanines, known as the “structure-inherent targeting” concept.. By possessing a rigid chloro-cyclohexenyl ring in the heptamethine cyanine backbone, a new type of multifunctional near-infrared fluorescent dye, Ph790H, that targets tumor without the need for additional targeting ligands is synthesized. Article Title: 700 nm Zwitterionic Near-Infrared Fluorophores for Dual-Channel Image-Guided Surgery Article Snippet: .. In silico calculations of the 3D charge, Log D at pH 7.4, and total polar surface area were calculated using Marvin and |