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2 changes: 1 addition & 1 deletion .github/CONTRIBUTING.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@ We welcome contributions from external contributors. This document describes the

As a small team, we must prioritize Pull Requests (PRs) that require minimal review. To maintain high project standards:

* **Human Validation:** While AI-assisted contributions are not strictly discouraged, they **must** undergo significant manual, human validation and verification.
* **Human Validation:** While AI-assisted contributions are not strictly discouraged, they **must** undergo significant manual, human validation and verification.
* **Submission State:** All PRs must be submitted in a "ready-to-merge" state. We reserve the right to close any PR without review if it does not meet these quality standards.
* **Verification:** If you have pending PRs, please audit them manually and leave a comment on the PR once you have personally verified the changes. We will defer reviewing these submissions until this confirmation is provided.
* **Final Authority:** All final decisions regarding the acceptance of contributions remain at the sole discretion of the maintainers.
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16 changes: 8 additions & 8 deletions openadmet/toolkit/database/chembl.py
Original file line number Diff line number Diff line change
Expand Up @@ -885,8 +885,8 @@ def get_templated_query(self) -> str:
join compound_structures ON molecule_hierarchy.parent_molregno = compound_structures.molregno
where activities.standard_type = 'PPB' and
activities.standard_units = '%' and
assay_type in ('ADMET') and
activities.bao_format = 'BAO_0000366'
assay_type in ('A', 'B') and
assays.bao_format = 'BAO_0000366'
-- BAO_0000366 is the format for cell-free assays
{% if organism %}and assays.assay_organism = '{{ organism }}' {% endif %}
"""
Expand Down Expand Up @@ -922,10 +922,10 @@ def get_templated_query(self) -> str:
direction_filters = []
if self.a_to_b:
# Common patterns for Apical to Basolateral
direction_filters.append("assays.description ILIKE '%A-B%' OR assays.description ILIKE '%A to B%' OR assays.description ILIKE '%apical to basolateral%'")
direction_filters.append("assays.description ILIKE '%A-B%' OR assays.description ILIKE '%A to B%' OR assays.description ILIKE '%apical to basolateral%' OR assays.description ILIKE '%apical to basal%'")
if self.b_to_a:
# Common patterns for Basolateral to Apical
direction_filters.append("assays.description ILIKE '%B-A%' OR assays.description ILIKE '%B to A%' OR assays.description ILIKE '%basolateral to apical%'")
direction_filters.append("assays.description ILIKE '%B-A%' OR assays.description ILIKE '%B to A%' OR assays.description ILIKE '%basolateral to apical%' OR assays.description ILIKE '%basal to apical%'")

# Combine filters with OR if both are selected, otherwise just use the one
if direction_filters:
Expand Down Expand Up @@ -1027,11 +1027,11 @@ class MDCKChEMBLCurator(ChEMBLCuratorBase):
)

a_to_b: bool = Field(
True, description="Filter for Apical to Basolateral direction."
False, description="Filter for Apical to Basolateral direction."
)

b_to_a: bool = Field(
True, description="Filter for Basolateral to Apical direction."
False, description="Filter for Basolateral to Apical direction."
)

@field_validator("cell_type")
Expand All @@ -1051,10 +1051,10 @@ def get_templated_query(self) -> str:
direction_filters = []
if self.a_to_b:
# Common patterns for Apical to Basolateral
direction_filters.append("assays.description ILIKE '%A-B%' OR assays.description ILIKE '%A to B%' OR assays.description ILIKE '%apical to basolateral%'")
direction_filters.append("assays.description ILIKE '%A-B%' OR assays.description ILIKE '%A to B%' OR assays.description ILIKE '%apical to basolateral%' OR assays.description ILIKE '%apical to basal%'")
if self.b_to_a:
# Common patterns for Basolateral to Apical
direction_filters.append("assays.description ILIKE '%B-A%' OR assays.description ILIKE '%B to A%' OR assays.description ILIKE '%basolateral to apical%'")
direction_filters.append("assays.description ILIKE '%B-A%' OR assays.description ILIKE '%B to A%' OR assays.description ILIKE '%basolateral to apical%' OR assays.description ILIKE '%basal to apical%'")

# Combine filters with OR if both are selected, otherwise just use the one
if direction_filters:
Expand Down
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