المؤلفون: Sung Wook Moon, Seung Kyu Min

مصطلحات موضوعية: Medicine, Genetics, Biotechnology, Cancer, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, vivo light sources, machine learning techniques, like molecules compared, gaussian process regression, data set comprising, combining active learning, size data set, optimization using databases, although optimization approaches, molecular design method, specific molecular properties, based genetic algorithm, efficient molecular design, molecular properties, genetic algorithm, iterative design, specific database, optimization toward, optimization capability, limited size

Relation: https://figshare.com/articles/journal_contribution/Gaussian_Process_Regression-Based_Near-Infrared_d_Luciferin_Analogue_Design_Using_Mutation-Controlled_Graph-Based_Genetic_Algorithm/25237225

الاتاحة: https://doi.org/10.1021/acs.jcim.3c00870.s001
https://figshare.com/articles/journal_contribution/Gaussian_Process_Regression-Based_Near-Infrared_d_Luciferin_Analogue_Design_Using_Mutation-Controlled_Graph-Based_Genetic_Algorithm/25237225

المؤلفون: Zhenghao Wu, Tianhang Zhou

مصطلحات موضوعية: Biophysics, Medicine, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, radial distribution functions, nonlinear temperature dependence, equilibrium probability distribution, target thermodynamic states, multiple thermodynamic states, concurrently optimizing bonded, achieved via optimizing, multiscale molecular simulations, multiobjective optimization capability, combines multiobjective optimization, creating efficient coarse, temperature transferable cg, efficient cg model, ps model demonstrates, soft matter systems, transferable cg models, multiobjective optimization, matter systems, cg model, transferable across, thermodynamic pressure, iteratively optimizing

Relation: https://figshare.com/articles/journal_contribution/Structural_Coarse-Graining_via_Multiobjective_Optimization_with_Differentiable_Simulation/25407757

الاتاحة: https://doi.org/10.1021/acs.jctc.3c01348.s001

المؤلفون: Sung Wook Moon, Seung Kyu Min

مصطلحات موضوعية: Medicine, Genetics, Biotechnology, Cancer, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, vivo light sources, machine learning techniques, like molecules compared, gaussian process regression, data set comprising, combining active learning, size data set, optimization using databases, although optimization approaches, molecular design method, specific molecular properties, based genetic algorithm, efficient molecular design, molecular properties, genetic algorithm, iterative design, specific database, optimization toward, optimization capability, limited size

Relation: https://figshare.com/articles/journal_contribution/Gaussian_Process_Regression-Based_Near-Infrared_d_Luciferin_Analogue_Design_Using_Mutation-Controlled_Graph-Based_Genetic_Algorithm/25237225

الاتاحة: https://doi.org/10.1021/acs.jcim.3c00870.s001