STOPLIGHT: A Hit Scoring Calculator-Reference-Cited by-同舟云学术

STOPLIGHT: A Hit Scoring Calculator

Published:2024-05-20 Issue:11 Volume:64 Page:4387-4391
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wellnitz James¹^ORCID,Martin Holli-Joi¹^ORCID,Anwar Hossain Mohammad²,Rath Marielle¹^ORCID,Fox Colton¹,Popov Konstantin I.³,Willson Timothy M.²^ORCID,Muratov Eugene N.¹^ORCID,Tropsha Alexander¹^ORCID

Affiliation:

1. Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States

2. Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States

3. Center For Integrative Chemical Biology and Drug Discovery, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States

Funder

American Foundation for Pharmaceutical Education

National Institutes of Health

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00412

Reference23 articles.

1. In Silico ADMET Traffic Lights as a Tool for the Prioritization of HTS Hits

2. CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

3. Fsp3: A new parameter for drug-likeness

4. Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds

5. An analysis of the attrition of drug candidates from four major pharmaceutical companies