Formal models of generic reaction schemes.

Figshare2017-07-03 更新2026-04-29 收录

化学反应建模

数据链接：

https://figshare.com/articles/dataset/Formal_models_of_generic_reaction_schemes_/5168851 数据链接链接失效反馈

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资源简介：

Formal models of generic reaction schemes.

通用反应方案（generic reaction schemes）的形式化模型

创建时间：

2017-07-03

ConvPred

化学反应建模

机器学习

The " Codes.zip " contains python scripts for training sigma-profiles-based and ECFP4-based models and script for generating ECFP4 dict. The " Models.zip " cont

DataCite Commons2024-06-28 更新100

Ethenoadenine Precursor 7,8-dihydro-8-hydroxy-imidazo[2,1-i]purine dehydration

化学反应建模

计算化学

The reaction of chloroacetaldehyde with adenine to form ethenoadenine has been modelled: this is an intrinsic reaction coordinate at the 6-31G(d) level of theory using the wB97X-D functional in water.

DataCite Commons2020-09-04 更新60

Ethenoadenine Precursor 7,8-dihydro-7-hydroxy-imidazo[2,1-i]purine IRC

化学反应建模

计算化学

The reaction of chloroacetaldehyde with adenine to form ethenoadenine has been modelled: this is an intrinsic reaction coordinate for the dehydration reaction at the 6-31G(d) level of theory using the

DataCite Commons2025-05-01 更新50

Data for: Modeling the impact of spray drying conditions on some Maillard reaction indicators in nano filtered whey

食品加工

化学反应建模

This dataset has the raw data, codes and supplemntary material required to completely reproduce the results published in the article "Modeling the impact of spray drying conditions on some Maillard re

Mendeley Data2024-03-27 更新100

Model biochemical reactants including their corresponding abbreviations (Fig 1), allocated compartment and initial concentration.

化学反应建模

系统生物学

Model biochemical reactants including their corresponding abbreviations (Fig 1), allocated compartment and initial concentration.

NIAID Data Ecosystem60