chembl-database

Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

1.17x

Quality

77%

Does it follow best practices?

Impact

74%

1.17x

Average score across 3 eval scenarios

Securityby

Passed

No known issues

Optimize this skill with Tessl

npx tessl skill review --optimize ./scientific-skills/chembl-database/SKILL.md

Evaluation results

82%

Kinase Inhibitor Profiling for a Drug Discovery Campaign

Target inhibitor discovery workflow

Criteria

Without context

With context

Correct import

100%

Target name search

50%

100%

SINGLE PROTEIN filter

100%

Activity endpoint used

100%

standard_type filter

100%

standard_units filter

100%

Molecule detail retrieval

100%

data_validity_comment acknowledged

pandas DataFrame export

list() for lazy evaluation

100%

Output files produced

100%

Statistics in summary

100%

57%

Comprehensive Drug Profile Report for Imatinib

Drug profile multi-endpoint analysis

Criteria

Without context

With context

Correct import

100%

drug endpoint used

mechanism endpoint used

70%

100%

activity endpoint used

100%

drug_indication endpoint

standard_type grouping

100%

data_validity_comment checked

100%

potential_duplicate flag

pchembl_value used

pandas DataFrame for CSV

list() force evaluation

100%

Output files produced

100%

83%

26%

Lead Optimization: SAR Analysis for a Kinase Scaffold

SAR study with structure and property filtering

Criteria

Without context

With context

Correct import

100%

Similarity endpoint

100%

SMILES as query structure

100%

Similarity threshold parameter

100%

mw_freebase filter

70%

alogp filter

75%

hbd filter

75%

hba filter

75%

Activity retrieval per compound

100%

Settings configuration

100%

pandas DataFrame usage

Output files produced

100%

Repository: K-Dense-AI/claude-scientific-skills
Commit: 71add64

Evaluated: 27 days ago
Agent: Claude Code
Model: Claude Sonnet 4.6

Table of Contents

Kinase Inhibitor Profiling for a Drug Discovery Campaign Comprehensive Drug Profile Report for Imatinib Lead Optimization: SAR Analysis for a Kinase Scaffold

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