|
View: |
Part 1: Document Description
|
|
Citation |
|
|---|---|
|
Title: |
RLM Stability Data |
|
Identification Number: |
doi:10.7910/DVN/LCPHAZ |
|
Distributor: |
Harvard Dataverse |
|
Date of Distribution: |
2023-07-31 |
|
Version: |
1 |
|
Bibliographic Citation: |
Shah, Pranav, 2023, "RLM Stability Data", https://doi.org/10.7910/DVN/LCPHAZ, Harvard Dataverse, V1, UNF:6:rlEZRY3/5XyTLjvqRdKzGw== [fileUNF] |
|
Citation |
|
|
Title: |
RLM Stability Data |
|
Identification Number: |
doi:10.7910/DVN/LCPHAZ |
|
Authoring Entity: |
Shah, Pranav (NCATS (National Institutes of Health)) |
|
Distributor: |
Harvard Dataverse |
|
Access Authority: |
Siramshetty, Vishal |
|
Depositor: |
Siramshetty, Vishal |
|
Date of Deposit: |
2023-07-31 |
|
Holdings Information: |
https://doi.org/10.7910/DVN/LCPHAZ |
|
Study Scope |
|
|
Keywords: |
Chemistry, Computer and Information Science, Medicine, Health and Life Sciences |
|
Abstract: |
Hepatic metabolic stability is a key pharmacokinetic parameter in drug discovery. Metabolic stability is usually assessed in microsomal fractions and only the best compounds progress in the drug discovery process. A high-throughput single time point substrate depletion method in rat liver microsomes (RLM) is employed at the National Center for Advancing Translational Sciences (NCATS) as a Tier 1 assay. This dataset has two files. First file (dataset_rlm_ncats.tab) contains 2528 compounds and the second file (drugs_rlm_ncats.tab) contains 220 approved drugs, both compound sets tested in the same RLM assay. |
|
Methodology and Processing |
|
|
Sources Statement |
|
|
Data Access |
|
|
Other Study Description Materials |
|
|
Related Publications |
|
|
Citation |
|
|
Identification Number: |
10.1177/24725552211017520 |
|
Bibliographic Citation: |
Siramshetty, V.B., Shah, P., et al. "Validating ADME QSAR Models Using Marketed Drugs." SLAS Discovery 2021 Dec;26(10):1326-1336. |
|
File Description--f7273053 |
|
|
File: dataset_rlm_ncats.tab |
|
|
|
|
Notes: |
UNF:6:xbDGf57QL4g4mEg5GvPZeQ== |
|
File Description--f7273052 |
|
|
File: drugs_rlm_ncats.tab |
|
|
|
|
Notes: |
UNF:6:MsPci0dHhg+RQZ3gH0kWjA== |
|
List of Variables: | |
|
Variables |
|
|
f7273053 Location: |
Summary Statistics: Valid 2528.0; Mean 4.649598879865554E7; Max. 1.37299537E8; StDev 4.045443854833345E7; Min. 1201.0; Variable Format: numeric Notes: UNF:6:v7TDea1CMJciopgupD274w== |
|
f7273053 Location: |
Variable Format: character Notes: UNF:6:OFdMz3M+QE9gi49oVmE+rw== |
|
f7273053 Location: |
Summary Statistics: Min. 0.0; Valid 2528.0; StDev 0.4574098483491415; Mean 0.29786392405063333; Max. 1.0; Variable Format: numeric Notes: UNF:6:vS7k0xFvejfVayaqlvMOEQ== |
|
f7273052 Location: |
Summary Statistics: Valid 220.0; Min. 444.0; Max. 1.46170514E8; Mean 1.3952115677272694E7; StDev 3.1419258204189308E7 Variable Format: numeric Notes: UNF:6:2VfwZ28ACMEh0oxf3dxzsw== |
|
f7273052 Location: |
Variable Format: character Notes: UNF:6:DIQl5sdz6Y7ravNgGDgrnQ== |
|
f7273052 Location: |
Summary Statistics: Mean 0.33636363636363636; StDev 0.47354242074224323; Min. 0.0; Valid 220.0; Max. 1.0 Variable Format: numeric Notes: UNF:6:IMmm8/dK1S4oGx3jSDz+aw== |