Question
In matched molecular pair analysis, namesake "cliffs" where this variable changes drastically are sources for lead (leed) generation. For 10 points each:
[10m] Name this output variable of linear regression models trained on applicability domains. Molecular descriptors are predictors for this variable in those quantitative models.
ANSWER: biological activity [or pharmacological activity; or quantitative structure activity relationships; prompt on potency; prompt on QSARs]
[10e] In addition to QSARs (cue-SAHRZ), structure-based drug discovery uses docking scoring functions to measure molecules' ability to act as these compounds, which form coordination complexes around metal atoms.
ANSWER: ligands [prompt on chelates by asking "What broader class of compounds are those a part of?"]
[10h] Ligand-based methods are one approach for the virtual form of this task in which drug candidates are searched for in small molecule libraries. Microtiter plates are automated to carry out millions of reactions in the high-throughput form of this task.
ANSWER: screening [or high-throughput screening or virtual screening; prompt on HTS or VS]
<Sean Farrell , Science - Chemistry - Mixed/Any>
Summary
| 2023 NASAT | 06/17/2023 | Y | 4 | 7.50 | 75% | 0% | 0% |
Data
| Illinois Blue | New Jersey A | 0 | 10 | 0 | 10 |
| Illinois White | Illinois Orange | 0 | 10 | 0 | 10 |
| Maryland Gold | Missouri B | 0 | 10 | 0 | 10 |
| Asia A | Ohio | 0 | 0 | 0 | 0 |