List of datasets in AqSolDB.

List of datasets in AqSolDB.

<div><p>Aqueous solubility, an essential physical property of compounds, has significant applications across various fields. However, verifying the solubility of compounds through experimental methods often requires substantial human and material resources. To address this issue, this st...

وصف كامل

محفوظ في:
التفاصيل البيبلوغرافية
المؤلف الرئيسي: Bin Pan (742525) (author)
مؤلفون آخرون: Xiaoyu Hou (1571344) (author), Mingxin Zhang (4898947) (author), Jingxian Yu (1332696) (author), Conghui Zhang (3456536) (author), Yunhui Zhang (65111) (author), Xiaolong Su (2015140) (author), Shuangcai Li (16458999) (author)
منشور في: 2025
الموضوعات:
Genetics
Environmental Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Mathematical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Information Systems not elsewhere classified
prediction results indicate
mean absolute error
essential physical property
generalizable prediction model
stackboost model excels
stackboost model decreases
successfully identified compounds
div >< p
predicting aqueous solubility
stackboost model
model ’
aqueous solubility
xgboost ),
water solubility
transfer learning
throughput screening
systematically compares
significantly outperforming
scale datasets
rf ).
random forest
organic compounds
material resources
high potential
generalization ability
five well
different datasets
determination ()
conducted high
comparative models
adaptive boosting
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