Sun2019 - Predictive models of aqueous solubility of organic compounds.
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://www.omicsdi.org/dataset/biomodels/MODEL2404220003
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资源简介：
Kinetic aqueous solubility (μg/mL) was experimentally determined using the same SOP in over 200 NCATS drug discovery projects. A final dataset of 11780 non-redundant molecules and their associated solubility was used to train a SVM classifier.
Model Type: Predictive machine learning model.
Model Relevance: Predicting the aqueous solubility of a chemical compound.
Model Encoded by: Pauline (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam
Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos74bo
创建时间：
2024-05-10
