September 11, 2024
Chemical Safety Information:
When working in a lab, you must understand the risks associated with handling chemicals. CDD Vault now displays safety information obtained from PubChem as a helpful reminder. If available, you will find hazard pictograms next to the name at the top of the molecule page.
Access additional details by clicking on the pictograms:
The dialog summarizes known hazard and precautionary statements from the Laboratory Chemical Safety Summary (LCSS) page on PubChem. Follow the link at the top of the Safety Summary page to view even more information about the compound.
While we aim to provide safety information for as many chemicals as possible, the absence of information does not mean that the compound is harmless. The available data has not been curated.
“Absolute” Intercepts for Curves:
Prior to this release, CDD Vault only calculated relative IC50 values by default, which is the concentration at the halfway point on the curve. Absolute intercepts, where the curve meets 50% on the generated curve’s y-axis, were determined using a calculated readout definition.
CDD Vault now provides an option to calculate the absolute intercept directly. Use the “Intercept” dropdown next to the specific calculation and select either relative or absolute. Add multiple calculations to compare values.
Updated Color Logic for Curves:
Curves generated in CDD Vault will now be color-coded based on protocol condition values. When no conditions exist in a protocol, then the color coding will be based on the run date. Curves will have consistent colors within a search result regardless of the number of curves shown in a given plot.
Configure Ontology Terms with Protocol Forms:
Terms from the Common Assay and Pistoia Alliance templates can be used when creating protocol forms. These fields allow users to digitize and standardize protocol descriptions using curated terms instead of relying on large, unstructured blocks of text.
Edit a specific term on your protocol form to set a default value, lock value or reduce the available values for a given term. Easily enrich forms with locked values and reduce the complexity of an ontology tree from an overwhelming list of options to a simple pick list for your end users.
Structure Lookup Using "Must Be Unique" Batch Fields:
The CDD Vault structure editor allows users to look up chemical structures using CDD Vault IDs, synonyms, common names, and other identifiers. Now, these other identifiers include any values that have been stored in a batch field that a vault administrator has marked as a “must-be-unique” field. Examples of these fields include barcodes, external IDs used by CROs, or catalog numbers that have been stored in CDD Vault.
This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, data visualization, inventory, and electronic lab notebook capabilities.