|
View: |
Part 1: Document Description
|
|
Citation |
|
|---|---|
|
Title: |
HLM_RLM (Human/Rat Liver Microsomal Stability) |
|
Identification Number: |
doi:10.7910/DVN/ADMGMU |
|
Distributor: |
Harvard Dataverse |
|
Date of Distribution: |
2024-05-21 |
|
Version: |
1 |
|
Bibliographic Citation: |
Li, Longqiang, 2024, "HLM_RLM (Human/Rat Liver Microsomal Stability)", https://doi.org/10.7910/DVN/ADMGMU, Harvard Dataverse, V1, UNF:6:dVeTS1rStcjVbjSOJ69VtA== [fileUNF] |
|
Citation |
|
|
Title: |
HLM_RLM (Human/Rat Liver Microsomal Stability) |
|
Identification Number: |
doi:10.7910/DVN/ADMGMU |
|
Authoring Entity: |
Li, Longqiang |
|
Distributor: |
Harvard Dataverse |
|
Access Authority: |
Park, Haneul |
|
Depositor: |
Park, Haneul |
|
Date of Deposit: |
2024-05-21 |
|
Holdings Information: |
https://doi.org/10.7910/DVN/ADMGMU |
|
Study Scope |
|
|
Keywords: |
Chemistry, Medicine, Health and Life Sciences |
|
Abstract: |
The HLM_RLM datasets predict the metabolic stability of compounds in Rat and Human Liver Microsomes, which is crucial for early-stage drug development. The datasets include 5,590 compounds for rat liver microsomes and 6,013 for human liver microsomes. Compounds are classified as stable or unstable based on their half-life. Moreover, we have sanitized and organized the datasets, derived from a published paper, into a format with three columns: ID, X, and Y. |
|
Methodology and Processing |
|
|
Sources Statement |
|
|
Data Access |
|
|
Other Study Description Materials |
|
|
Related Publications |
|
|
Citation |
|
|
Title: |
Li, L.; Lu, Z.; Liu, G.; Tang, Y.; Li, W. In Silico prediction of human and rat liver microsomal stability via machine learning methods. Chemical Research in Toxicology 2022, 35 (9), 1614–1624. https://doi.org/10.1021/acs.chemrestox.2c00207. |
|
Bibliographic Citation: |
Li, L.; Lu, Z.; Liu, G.; Tang, Y.; Li, W. In Silico prediction of human and rat liver microsomal stability via machine learning methods. Chemical Research in Toxicology 2022, 35 (9), 1614–1624. https://doi.org/10.1021/acs.chemrestox.2c00207. |
|
File Description--f10218426 |
|
|
File: hlm.tab |
|
|
|
|
Notes: |
UNF:6:YdLqT7vjzdAfYrkuUN2Z7Q== |
|
File Description--f10218425 |
|
|
File: rlm.tab |
|
|
|
|
Notes: |
UNF:6:feE/VqlXdX1YpOSAXIKMSA== |
|
List of Variables: | |
|
Variables |
|
|
f10218426 Location: |
Variable Format: character Notes: UNF:6:qiUxuJ8YsxsCmHKCZ9ln7A== |
|
f10218426 Location: |
Variable Format: character Notes: UNF:6:Yi54Vm32dYJi5ncDoROXuA== |
|
f10218426 Location: |
Summary Statistics: Valid 6013.0; StDev 0.4784211092518404; Min. 0.0; Mean 0.3545651089306502; Max. 1.0; Variable Format: numeric Notes: UNF:6:jcjOfFLeEMKLZudhrDlN0g== |
|
f10218425 Location: |
Variable Format: character Notes: UNF:6:vzDR40gq8MJ8h9K8wKgnsA== |
|
f10218425 Location: |
Variable Format: character Notes: UNF:6:F6lcNz0RdbuoL1XxgImTZg== |
|
f10218425 Location: |
Summary Statistics: Valid 5592.0; Mean 0.5924535050071605; Min. 0.0; Max. 1.0; StDev 0.49142195240825504 Variable Format: numeric Notes: UNF:6:Uwex75nJEiG92dXqL08KVw== |