[HTML][HTML] Computer-assisted screening of mycobacterial growth inhibitors: Exclusion of frequent hitters with the assistance of the multiple target screening method
K Kuriki, J Taira, M Kuroki, H Sakamoto… - … International Journal of …, 2021 - journals.lww.com
… drug screening strategy in the present study. The asterisk denotes exclusion process of frequent
hitters… with the potential to bind multiple target proteins were regarded as frequent hitters …
hitters… with the potential to bind multiple target proteins were regarded as frequent hitters …
Frequent hitters: nuisance artifacts in high-throughput screening
… We also review commonly used experimental detection techniques and computational
prediction … Development of a virtual screening method for identification of ‘frequent hitters’ in …
prediction … Development of a virtual screening method for identification of ‘frequent hitters’ in …
Application of negative design to design a more desirable virtual screening library
… for the evaluations of drug-likeness, frequent hitters, and toxicity are outlined. In addition,
the related Web servers and software packages developed recently for negative design are …
the related Web servers and software packages developed recently for negative design are …
[HTML][HTML] Statistical models for identifying frequent hitters in high throughput screening
S Goodwin, G Shahtahmassebi, QS Hanley - Scientific reports, 2020 - nature.com
… Early in the development of HTS some compounds were noted to respond frequently 3 …
screen model section, we consider the binomial survivor approach to identifying frequent hitters, …
screen model section, we consider the binomial survivor approach to identifying frequent hitters, …
Using filters in virtual screening: A comprehensive guide to minimize errors and maximize efficiency
… growth of High-throughput screening (HTS) and combinatorial chemistry as cornerstones in
drug discovery,1, 2 virtual screening … found among the analyzed frequent hitters, which were …
drug discovery,1, 2 virtual screening … found among the analyzed frequent hitters, which were …
Discovery of novel hit compounds as potential HDAC1 inhibitors: The case of ligand-and structure-based virtual screening
… developed a reliable virtual screening process, combining different ligand- and structure–based
methods, to identify … them as “frequent hitters” in high-throughput screenings. Eventually, …
methods, to identify … them as “frequent hitters” in high-throughput screenings. Eventually, …
Differential Multimolecule Fingerprint for Similarity Search─ Making Use of Active and Inactive Compound Sets in Virtual Screening
MC Hutter - Journal of Chemical Information and Modeling, 2022 - ACS Publications
… Thus, the query molecules in virtual screening should be most representative of the wanted
… , which comprises compounds that appear as frequent hitters across multiple assays. Using …
… , which comprises compounds that appear as frequent hitters across multiple assays. Using …
[PDF][PDF] Machine Learning Models for the Prediction of Frequent Hitters in Biochemical and Biological Assays
C Stork - 2021 - ediss.sub.uni-hamburg.de
… in a virtual screening approach against several targets. Positive results from the docking
approach can then be screened … to develop classifiers for the prediction of frequent hitters (also …
approach can then be screened … to develop classifiers for the prediction of frequent hitters (also …
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace
N Singh, L Chaput, BO Villoutreix - Briefings in bioinformatics, 2021 - academic.oup.com
… developed to manipulate these chemical objects and associated bioactivity data. Virtual
screening methods … or unwanted promiscuous binders and frequent hitters). Other approaches …
screening methods … or unwanted promiscuous binders and frequent hitters). Other approaches …
A practical guide to machine-learning scoring for structure-based virtual screening
… potential frequent hitters such as pan-assay interference compounds (PAINS) 108,109,110,111,112,113
among actives, given that these molecules may interfere with biological testing …
among actives, given that these molecules may interfere with biological testing …