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VHP4Safety / glossary

Webpage with the VHP4Safety Glossary
https://glossary.vhp4safety.nl/
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[TERM REQUEST] **Proteochemometric** #35

Closed LindeSchoenmaker closed 1 year ago

LindeSchoenmaker commented 1 year ago

What would be a label for the terms to categorize the entries in the glossary? Proteochemometric (PCM)

What is the definition of the term? Mathematical models that can be used to predict the biological properties (mainly bioactivity) of compounds on proteins from the knowledge of their (chemical) structure.

Is there an ontology that has this term? No

Additional context This is a tool-related term, PCM is similar but not the same as QSAR. In QSAR modeling protein characteristics are typically not included, whereas in PCM modeling the bioactivity of multiple ligands against multiple related protein targets is simultaneously taken into account

ozancinar commented 1 year ago

Added to the glossary (under Tool/service-related terms) with the proposed definition.