Model Details
CPSign Regression Prediction Service 2.0
Service that deploys a CPSign regression model and allows for predictions to be made by the deployed model. The service also comes bundled with an interactive drawing interface that can be accessed using <service-url>/draw where molecules can be drawn...
- Project
- cpLogD-v2.0
- Project Owner
- staffan.arvidsson@uu.se
- Version
-
1.0
- Uploaded
-
March 19, 2024, 9 p.m.
Model Card
Model Card for CPSign Regression Prediction Service
Model Details
Overview
Service that deploys a CPSign regression model (documentation and GitHub repository) and allows for predictions to be made by the deployed model. The service also comes bundled with an interactive drawing interface that can be accessed using <service-url>/draw where molecules can be drawn and predicted interactively.
The code behind CPLogD-2 is located on https://github.com/pharmbio/cplogd-v2.0. Full dataset can be downloaded here (coming from CX LogD 7.4 from ChEMBL version 33). Training and validation splits can be found here.
Version
Owners
- Staffan Arvidsson McShane
References
- Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth. CPSign - Conformal Prediction for Cheminformatics Modeling. bioRxiv 2023.11.21.568108; doi: https://doi.org/10.1101/2023.11.21.568108
Model Architecture
