James Wellnitz

University of North Carolina at Chapel Hill

Also affiliated with University of North Carolina Health Care

Computer ScienceBiochemistry, Genetics and Molecular BiologyPharmacology, Toxicology and PharmaceuticsChemistry

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 18 papers. Top paper: “HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries”.

HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries

Molecular Informatics(2023)10.1002/minf.202300207

N/A

0DataRank · unranked

28 citations

James Wellnitz, Travis Maxfield, Alexander Tropsha, Konstantin I. Popov

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

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.3c00482

N/A

0DataRank · unranked

14 citations

Adam Yasgar, James Wellnitz, Ganesha Rai, Marielle Rath, Rodolpho C. Braga +6 more

Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles

ChemRxiv(2023)10.26434/chemrxiv-2023-rnc4l

N/A

0DataRank · unranked

3 citations

James Wellnitz, Holli‐Joi Martin, Cleber C. Melo‐Filho, Joshua E. Hochuli, Guilherme Martins Silva +10 more

STOPLIGHT: A Hit Scoring Calculator

ChemRxiv(2023)10.26434/chemrxiv-2023-8x112

N/A

0DataRank · unranked

3 citations

Holli‐Joi Martin, Mohammad Alamgir Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov +4 more

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

ChemRxiv(2023)10.26434/chemrxiv-2023-r78sj

N/A

0DataRank · unranked

2 citations

Adam Yasgar, James Wellnitz, Ganesha Bantukallu, Marielle Rath, Rodolpho C. Braga +6 more

One size does not fit all: revising traditional paradigms for QSAR-based virtual screenings.

ChemRxiv(2023)10.26434/chemrxiv-2023-9cw9v

N/A

0DataRank · unranked

2 citations

Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene Muratov, Alexander Tropsha +2 more

The N-ary in the Coal Mine: Avoiding Mixture Model Failure with Proper Validation

arXiv (Cornell University)(2023)10.48550/arxiv.2308.06347

N/A

0DataRank · unranked

0 citations

Joshua E. Hochuli, James Wellnitz, Cleber C. Melo‐Filho, Konstantin Popov, Eugene Muratov +2 more

A data science roadmap for open science organizations engaged in early-stage drug discovery

Nature Communications(2024)10.1038/s41467-024-49777-x

N/A

0DataRank · unranked

23 citations

Aled Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G. Hulcoop +19 more

A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents

Toxics(2024)10.3390/toxics12110803

N/A

0DataRank · unranked

8 citations

José Teófilo Moreira‐Filho, Holli‐Joi Martin, James Wellnitz, Miguel Canamary Otoch, Marielle Rath +4 more

STOPLIGHT: A Hit Scoring Calculator

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00412

N/A

0DataRank · unranked

7 citations

Holli‐Joi Martin, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov +4 more

Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity

Pharmaceuticals(2024)10.3390/ph17030306

N/A

0DataRank · unranked

4 citations

Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman, James Wellnitz, Konstantin I. Popov +3 more

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

Lecture notes in computer science(2024)10.1007/978-3-031-56060-6_3

N/A

0DataRank · unranked

5 citations

James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez +2 more

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

arXiv (Cornell University)(2024)10.48550/arxiv.2402.07970

N/A

0DataRank · unranked

1 citations

James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez +2 more

A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents

UNC Libraries(2024)10.17615/8pgs-2737

N/A

0DataRank · unranked

0 citations

Eugene Muratov, Holli‐Joi Martin, Ricardo Scheufen Tieghi, Miguel Canamary Otoch, Marielle Rath +4 more

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening

Journal of Cheminformatics(2025)10.1186/s13321-025-00948-y

N/A

0DataRank · unranked

15 citations

Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene Muratov, Alexander Tropsha +2 more

Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research

Antiviral Research(2025)10.1016/j.antiviral.2025.106184

N/A

0DataRank · unranked

3 citations

Mohammad Anwar Hossain, James Wellnitz, Enes Kelestemur, Joshua E. Hochuli, Sumera Perveen +5 more

HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries

UNC Libraries(2025)10.17615/q6gy-5z21

N/A

0DataRank · unranked

0 citations

Travis Maxfield, Konstantin Popov, Alexander Tropsha, James Wellnitz

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

UNC Libraries(2025)10.17615/srnb-f444

N/A

0DataRank · unranked

0 citations

Ganesha Rai, Marielle Rath, Anton Simeonov, Eugene Muratov, Alexey Zakharov +6 more