CLARITY v4 highlights

 

In October 2019, the latest version of CLARITY (v4.0) was released for clients distribution. 

 

A high-level overview of release notes:

 

  • MODULES

- MedChem Explorer [new add-on module]. An interactive tool that facilitates SAR analyses and Scaffold hopping, enabling the exploration of molecules by Murcko scaffold and the analysis of associated pharmacology, safety and therapeutic indications data.

- Drug Explorer [improved]

- FAERS Explorer [improved, additional analytics and quarterly updates available via patch]

- Predictive Analytics [improved Panels view, including model details]

- Basket tool - to allow selection of molecules and run a prediction, or get a file with IDs from several chemical providers. 

 

  • DATA

- Updated pharmacology models (the latest 2019 data from public sources and patents)

- Updated toxicology models (new model types (preclinical, clinical and postmarketing)

- Updated FAERS data and signals

 

  • INTERFACE

- Refreshed and consistent look-and-feel

- Optimized responsiveness

- Saving sessions

Drug Explorer, module that allows the user to explore (browse and filter) background data present in the CLARITYⓇ database. PHARMACOLOGY (targets), TOXICOLOGY (events) and METABOLISM (transformations) information is displayed and can be filtered for a deeper analysis of known data and precalculated predictions.

FAERS Explorer, an analytics module that presents the user with curated FDA’s Adverse Event Reporting system data  (from 1969 to June 2019, 15.5M reports) in a browsable environment where information for either drugs or safety events can be analyzed. 

MedChem Explorer, an interactive tool that facilitates SAR analyses and Scaffold hopping, enabling the exploration of molecules by Murcko scaffold and the analysis of associated pharmacology, safety and therapeutic indications data. 

This module allows the exploration of the chemical space for over 5 million molecules consolidated from annotated chemical libraries (Patents, Public data (ie., ChEMBL) and Literature), drug sets (ATC, FAERS) and chemical provider catalogues. 

Predictive Analytics, module that displays the summary cards of all the molecule sets in the working environment that a user has uploaded. Each card corresponds to a user job (e.g., draw/upload molecule/s, run pharmacology and/or toxicology profiling).
 

Panel Manager, module that contains sets of Pharmacology and Toxicology models, grouped by protein family/subfamilies or safety category/endpoints. Panels can be defined from known standard panels or customized by user preferences.