🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

W. Patrick Walters

Open Medicine Institute

ORCID: 0000-0003-2860-7958
Computer ScienceBiochemistry, Genetics and Molecular Biology

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 2%percentile
2.0Author DataRank

Indexed papers

4in pilot corpus
datarank_citation_only_1hop_v6· scope data_onlyMethodology
Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 4 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

Top data-sharing exemplar

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Nucleic Acids Research(2024)10.1093/nar/gkae1075
Top 11%
2.0DataRank
Top 11%187 citations

Linda Hwang, S.K. Burley, Carmen I. Nitsche, Christopher Southan, W. Patrick Walters +2 more

Papers

Driven by 10 papers — median percentile 89. Top paper: “BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data”.

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Nucleic Acids Research(2024)10.1093/nar/gkae1075
Top 11%
2.0DataRank
Top 11%187 citations

Linda Hwang, S.K. Burley, Carmen I. Nitsche, Christopher Southan, W. Patrick Walters +2 more

SIML: A Fast SIMD Algorithm for Calculating LINGO Chemical Similarities on GPUs and CPUs

Journal of Chemical Information and Modeling(2010)10.1021/ci100011z
N/A
0.489DataRank · unranked
25 citations

Vijay S. Pande, W. Patrick Walters, Imran S. Haque

A call for an industry-led initiative to critically assess machine learning for real-world drug discovery

Nature Machine Intelligence(2024)10.1038/s42256-024-00911-w
N/A
0.489DataRank · unranked
25 citations

Jeremy R. Ash, Matteo Aldeghi, Raquel Rodríguez-Pérez, Cheng Fang, Alan C. Cheng +5 more

Understanding covariate shift in model performance

F1000Research(2016)10.12688/f1000research.8317.3
N/A
0.360DataRank · unranked
10 citations

W. Patrick Walters, Brian Goldman, Georgia McGaughey

Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.08.25.609621
N/A
0.345DataRank · unranked
9 citations

Moira Rachman, Takaya Togo, Stefan Gahbauer, Yagmur U. Doruk, Maisie GV Stevens +12 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00535
N/A
0.292DataRank · unranked
6 citations

Madhushika Silva, Ayaz Ahmad, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith +105 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq-v3
N/A
0.165DataRank · unranked
2 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq
N/A
0.150DataRank · unranked
1 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.07.18.603797
N/A
0DataRank · unranked
5 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +90 more

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01267
N/A
0DataRank · unranked
26 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +91 more