Showing 41 - 60 results of 107 for search 'Journal of Chemical Information and Modeling', query time: 0.08s Refine Results
  1. 41
    Implementation of multilinear look-up tables as surrogate models for the ethyl transesterification reactor in equation-oriented simulator EMSO

    Implementation of multilinear look-up tables as surrogate models for the ethyl transesterification reactor in equation-oriented simulator EMSO by Christian de Oliveira Martins, Felipe Fernando Furlan, Roberto de Campos Giordano

    Published 2020-10-01
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  2. 42
    Re-calibrating measurements of low-cost air quality monitors using PCR-GPR air quality forecasting models.

    Re-calibrating measurements of low-cost air quality monitors using PCR-GPR air quality forecasting models. by Bing Liu, Shuting Yang, Junqi Wang

    Published 2025-01-01
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  3. 43
    Liquid-vapor phase diagram of carbon dioxide near the critical point

    Liquid-vapor phase diagram of carbon dioxide near the critical point by Azzedine Abbaci

    Published 2024-12-01
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  4. 44
    PretoxTM: a text mining system for extracting treatment-related findings from preclinical toxicology reports

    PretoxTM: a text mining system for extracting treatment-related findings from preclinical toxicology reports by Javier Corvi, Nicolás Díaz-Roussel, José M. Fernández, Francesco Ronzano, Emilio Centeno, Pablo Accuosto, Celine Ibrahim, Shoji Asakura, Frank Bringezu, Mirjam Fröhlicher, Annika Kreuchwig, Yoko Nogami, Jeong Rih, Raul Rodriguez-Esteban, Nicolas Sajot, Joerg Wichard, Heng-Yi Michael Wu, Philip Drew, Thomas Steger-Hartmann, Alfonso Valencia, Laura I. Furlong, Salvador Capella-Gutierrez

    Published 2025-02-01
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  5. 45
    Numerical Studies of the Gas-Solid Hydrodynamics at High Temperature in the Riser of a Bench-Scale Circulating Fluidized Bed

    Numerical Studies of the Gas-Solid Hydrodynamics at High Temperature in the Riser of a Bench-Scale Circulating Fluidized Bed by Maximilian J. Hodapp, Jhon J. Ramirez-Behainne, Milton Mori, Leonardo Goldstein

    Published 2012-01-01
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  6. 46
    Using an SGB Decision Tree Approach to Estimate the Properties of CRM Made by Biomass Pretreated with Ionic Liquids

    Using an SGB Decision Tree Approach to Estimate the Properties of CRM Made by Biomass Pretreated with Ionic Liquids by Ya-Qing Gu, Tao Shu, Bin Ge, Ping Wang, Chen Gao, Hamid Heydari

    Published 2021-01-01
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  7. 47
    DPSTCN: Dynamic Pattern-Aware Spatio-Temporal Convolutional Networks for Traffic Flow Forecasting

    DPSTCN: Dynamic Pattern-Aware Spatio-Temporal Convolutional Networks for Traffic Flow Forecasting by Zeping Dou, Danhuai Guo

    Published 2024-12-01
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  8. 48
    Sonochemically Modified Lapindo Mud Using Sulfuric Acid for Efficient Adsorption of Phenol in Aqueous Media and Real Wastewater Samples

    Sonochemically Modified Lapindo Mud Using Sulfuric Acid for Efficient Adsorption of Phenol in Aqueous Media and Real Wastewater Samples by Karna Wijaya, Adyatma Bhagaskara, Maria Francia Mirabella Sani, Marini Fairuz Vebryana, Fernando Alvaro Pratama, Widuri Anggraeni, Amalia Kurnia Amin, Faturrahman Al Ramadhani, Aldino Javier Saviola

    Published 2024-12-01
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  9. 49
    Positional embeddings and zero-shot learning using BERT for molecular-property prediction

    Positional embeddings and zero-shot learning using BERT for molecular-property prediction by Medard Edmund Mswahili, JunHa Hwang, Jagath C. Rajapakse, Kyuri Jo, Young-Seob Jeong

    Published 2025-02-01
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  10. 50
    Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy

    Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational D... by Jing Han, Guochao Yan, Jianping Feng, Xianglin Yang, Yuan Zhou

    Published 2020-01-01
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  11. 51
    3-Methyl-4-Nitrobenzoate Derivates as Antifungal Drug Candidates: Biological and In Silico Evaluation

    3-Methyl-4-Nitrobenzoate Derivates as Antifungal Drug Candidates: Biological and In Silico Evaluation by Alana R. Ferreira, Yunierkis P. Castillo, Ana C. M. Andrade, Diego F. Nóbrega, João Paulo G. de Oliveira, Tamires C. Lima, Ricardo D. de Castro, Damião P. de Sousa

    Published 2025-01-01
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  12. 52
    The Gauge Integral Theory in HOL4

    The Gauge Integral Theory in HOL4 by Zhiping Shi, Weiqing Gu, Xiaojuan Li, Yong Guan, Shiwei Ye, Jie Zhang, Hongxing Wei

    Published 2013-01-01
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  13. 53
    hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses

    hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses by Dohyeon Lee, Sunyong Yoo

    Published 2025-01-01
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  14. 54
    Transport of Zn (II) by TDDA-Polypropylene Supported Liquid Membranes and Recovery from Waste Discharge Liquor of Galvanizing Plant of Zn (II)

    Transport of Zn (II) by TDDA-Polypropylene Supported Liquid Membranes and Recovery from Waste Discharge Liquor of Galvanizing Plant of Zn (II) by Hanif Ur Rehman, Gul Akhtar, Haroon Ur Rashid, Nauman Ali, Imtiaz Ahmad, Saeed Ur Rehman, Kamin Khan, Muhammad Arshad

    Published 2017-01-01
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  15. 55
    Aromaticities of Five Membered Heterocycles through Dimethyldihydropyrenes Probe by Magnetic and Geometric Criteria

    Aromaticities of Five Membered Heterocycles through Dimethyldihydropyrenes Probe by Magnetic and Geometric Criteria by Maria, Khurshid Ayub

    Published 2015-01-01
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  16. 56
    Prediction of Dissolved Oxygen Concentration in Sewage Treatment Process Based on Data Recognition Algorithm

    Prediction of Dissolved Oxygen Concentration in Sewage Treatment Process Based on Data Recognition Algorithm by Lili Ma, Jiangping Liu

    Published 2022-01-01
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  17. 57
    Hyperspectral Imaging Surface Analysis for Dried and Thermally Modified Wood: An Exploratory Study

    Hyperspectral Imaging Surface Analysis for Dried and Thermally Modified Wood: An Exploratory Study by Olena Myronycheva, Ekaterina Sidorova, Olle Hagman, Margot Sehlstedt-Persson, Olov Karlsson, Dick Sandberg

    Published 2018-01-01
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  18. 58
    A Case Study on Formal Analysis of an Automated Guided Vehicle System

    A Case Study on Formal Analysis of an Automated Guided Vehicle System by Jie Zhang, Yuntao Peng, William N. N. Hung, Xiaojuan Li, Jindong Tan, Zhiping Shi

    Published 2014-01-01
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  19. 59
    3D-QSAR Study on a Series of VEGFR-2 Kinase Inhibitors: 3-Pyrrole Substituted Indolin-2-Ones Compounds

    3D-QSAR Study on a Series of VEGFR-2 Kinase Inhibitors: 3-Pyrrole Substituted Indolin-2-Ones Compounds by Shunlai Li, Rutao Zhang, Hongguang Du

    Published 2013-01-01
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  20. 60
    Recovery of Carbon Fibres From Aged Epoxy Matrix Composites Using H2O2 as an Oxidant: A Thermodynamic and Technoeconomic Analysis

    Recovery of Carbon Fibres From Aged Epoxy Matrix Composites Using H2O2 as an Oxidant: A Thermodynamic and Technoeconomic Analysis by Paul Njeni Mabalane, Kristof Molnar, Philani Thembelihle Mazibuko, Kolos Molnár, Caroline Khoathane, Mike Masukume

    Published 2025-01-01
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