A data science roadmap for open science organizations engaged in early-stage drug discovery.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49777-x
- By:
- Publication type:
- Article
Works by Wellnitz, James
Results: 6
1
2
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries.
- Published in:
- Molecular Informatics, 2024, v. 43, n. 1, p. 1, doi. 10.1002/minf.202300207
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- Publication type:
- Article
3
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity.
- Published in:
- Pharmaceuticals (14248247), 2024, v. 17, n. 3, p. 306, doi. 10.3390/ph17030306
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- Publication type:
- Article
4
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents.
- Published in:
- Toxics, 2024, v. 12, n. 11, p. 803, doi. 10.3390/toxics12110803
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- Publication type:
- Article
5
The assembly of β‐barrel membrane proteins by BAM and SAM.
- Published in:
- Molecular Microbiology, 2021, v. 115, n. 3, p. 425, doi. 10.1111/mmi.14666
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- Publication type:
- Article
6
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening.
- Published in:
- Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-00948-y
- By:
- Publication type:
- Article