Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter-Reference-Cited by-同舟云学术

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Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter

Published:2024-06-26 Issue:13 Volume:64 Page:4991-5005
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Abou Hajal Abdallah¹²^ORCID,Bryce Richard A.³^ORCID,Amor Boulbaba Ben⁴⁵,Atatreh Noor¹²,Ghattas Mohammad A.¹²^ORCID

Affiliation:

1. College of Pharmacy, Al Ain University, Abu Dhabi 112612, United Arab Emirates

2. AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 112612, United Arab Emirates

3. Division of Pharmacy and Optometry, School of Health Sciences, University of Manchester, Oxford Road, Manchester M13 9PL, U.K.

4. Core42, Inception/G42, Abu Dhabi 2282, United Arab Emirates

5. IMT Nord Europe, Villeneuve D'Ascq 59650 France

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00363

Reference63 articles.

1. An overview of drug discovery and development

2. Gains from no real PAINS: Where ‘Fair Trial Strategy’ stands in the development of multi-target ligands

3. Computational advances in combating colloidal aggregation in drug discovery

4. False Positives in the Early Stages of Drug Discovery

5. A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library

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