cando.py: Open Source Software for Predictive Bioanalytics of Large Scale Drug–Protein

cando.py: Open Source Software for Predictive Bioanalytics of Large Scale Drug–Protein–Disease Data

Published:2020-06-09 Issue:9 Volume:60 Page:4131-4136
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Mangione William¹^ORCID,Falls Zackary¹,Chopra Gaurav²^ORCID,Samudrala Ram¹

Affiliation:

1. Department of Biomedical Informatics, University at Buffalo, Buffalo, New York 14120, United States

2. Department of Chemistry, Purdue Institute for Drug Discovery, Integrated Data Science Institute, Purdue University, West Lafayette, Indiana 47907, United States

Funder

National Center for Advancing Translational Sciences

National Cancer Institute

NIH Office of the Director

U.S. National Library of Medicine

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00110

Reference36 articles.

1. CANDO and the infinite drug discovery frontier

2. Multiscale Modelling of Relationships between Protein Classes and Drug Behavior Across all Diseases Using the CANDO Platform

3. Fingerprinting CANDO: Increased Accuracy with Structure- and Ligand-Based Shotgun Drug Repurposing

4. Identifying Protein Features Responsible for Improved Drug Repurposing Accuracies Using the CANDO Platform: Implications for Drug Design

5. Exploration of interaction scoring criteria in the CANDO platform

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