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

Marc C. Nicklaus

ORCID: 0000-0002-4775-7030
Computer ScienceMedicineBiochemistry, Genetics and Molecular BiologyImmunology and MicrobiologyMaterials Science

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 1%percentile
7.5Author DataRank

Indexed papers

8in 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 8 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.

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Scientific Data(2020)10.1038/s41597-020-00727-4
Top 9%
2.5DataRank
Top 9%74 citations

Wolf D. Ihlenfeldt, Philip N. Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach +4 more

Papers

Driven by 21 papers — median percentile 68. Top paper: “SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules”.

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Scientific Data(2020)10.1038/s41597-020-00727-4
Top 9%
2.5DataRank
Top 9%74 citations

Wolf D. Ihlenfeldt, Philip N. Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach +4 more

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

Journal of Chemical Information and Modeling(2020)10.1021/acs.jcim.9b01080
Top 11%
2.0DataRank
Top 11%43 citations

Wolf D. Ihlenfeldt, Hitesh Patel, Victorien Delannée, Marc C. Nicklaus, Devendra K. Dhaked

Tautomer Database: A Comprehensive Resource for Tautomerism Analyses

Journal of Chemical Information and Modeling(2020)10.1021/acs.jcim.9b01156
Top 17%
1.2DataRank
Top 17%33 citations

Laura Guasch, Marc C. Nicklaus, Devendra K. Dhaked

Synthetically Accessible Virtual Inventory (SAVI)

ChemRxiv(2020)10.26434/chemrxiv.12185559.v1
Top 21%
0.959DataRank
Top 21%12 citations

Wolf D. Ihlenfeldt, Philip N. Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach +3 more

Synthetically Accessible Virtual Inventory (SAVI)

ChemRxiv(2020)10.26434/chemrxiv.12185559
Top 44%
0.426DataRank
Top 44%6 citations

Wolf D. Ihlenfeldt, Philip N. Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach +3 more

Tautomeric Conflicts in Forty Small-Molecule Databases

ChemRxiv(2021)10.26434/chemrxiv.14779254
Top 67%
0.166DataRank
Top 67%1 citations

Marc C. Nicklaus, Devendra K. Dhaked

Tautomeric Conflicts in Forty Small-Molecule Databases

ChemRxiv(2024)10.26434/chemrxiv-2024-jzpw2-v2
Top 70%
0.165DataRank
Top 70%2 citations

Marc C. Nicklaus, Devendra K. Dhaked

Tautomeric Conflicts in Forty Small-Molecule Databases

ChemRxiv(2021)10.26434/chemrxiv.14779254.v1
Top 78%
0.104DataRank
Top 78%1 citations

Marc C. Nicklaus, Devendra K. Dhaked

Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a “non-druggable” target, STAT3 N-terminal domain

ChemRxiv(2023)10.26434/chemrxiv-2023-c1n52-v2
N/A
0DataRank · unranked
0 citations

Cody L. Hoop, Karen Stefanisko, S. Yu. Tarasov, Sourav Sinha, Marc C. Nicklaus +2 more

Correlation of binding site properties with chemistries used for generation of ultra-large virtual libraries.

ChemRxiv(2023)10.26434/chemrxiv-2023-hs7ql
N/A
0DataRank · unranked
0 citations

Marc C. Nicklaus, Nadya I. Tarasova, Robert Song

Correlation of protein binding pocket properties with hits’ chemistries used in generation of ultra-large virtual libraries

Journal of Computer-Aided Molecular Design(2024)10.1007/s10822-024-00562-4
N/A
0DataRank · unranked
1 citations

Marc C. Nicklaus, Nadya I. Tarasova, Robert X.-D. Song

What impact does tautomerism have on drug discovery and development?

Expert Opinion on Drug Discovery(2024)10.1080/17460441.2024.2379873
N/A
0DataRank · unranked
11 citations

Marc C. Nicklaus, Devendra K. Dhaked

Antiangiogenic Activity and in Silico Cereblon Binding Analysis of Novel Thalidomide Analogs

Molecules(2020)10.3390/molecules25235683
N/A
0DataRank · unranked
23 citations

Shaunna Beedie, Cindy H. Chau, Matthew K. Collins, Suzana Markolovic, Weiming Luo +8 more

Correlation of protein binding pocket properties with hits’ chemistries used in generation of ultra-large virtual libraries

Research Square(2024)10.21203/rs.3.rs-4014124/v1
N/A
0DataRank · unranked
0 citations

Marc C. Nicklaus, Nadya I. Tarasova, Robert X.-D. Song

Adapting CHMTRN (CHeMistry TRaNslator) for a New Use

Journal of Chemical Information and Modeling(2020)10.1021/acs.jcim.0c00448
N/A
0DataRank · unranked
19 citations

Wolf D. Ihlenfeldt, Hitesh Patel, Victorien Delannée, Nadya I. Tarasova, Marc C. Nicklaus +1 more

ReactionCode: format for reaction searching, analysis, classification, transform, and encoding/decoding

Journal of Cheminformatics(2020)10.1186/s13321-020-00476-x
N/A
0DataRank · unranked
12 citations

Marc C. Nicklaus, Victorien Delannée

ReactionCode: Format for Reaction Searching, Analysis, Classification, Transform, and Encoding/Decoding

Research Square(2020)10.21203/rs.3.rs-48395/v1
N/A
0DataRank · unranked
0 citations

Marc C. Nicklaus, Victorien Delannée

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods

Journal of Chemical Information and Modeling(2021)10.1021/acs.jcim.0c01164
N/A
0DataRank · unranked
103 citations

Vishal B. Siramshetty, Vinícius M. Alves, Eugene Muratov, Nicole Kleinstreuer, Alexander Tropsha +4 more

Selective Recognition of Carbohydrate Antigens by Germline Antibodies Isolated from AID Knockout Mice

Journal of the American Chemical Society(2022)10.1021/jacs.1c12745
N/A
0DataRank · unranked
7 citations

Jacey R. Pridgen, Avery Tytla, Megan L. Peach, Rayleen Hu, David W. Farnsworth +6 more

Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a “non-druggable” target, STAT3 N-terminal domain

Frontiers in Oncology(2023)10.3389/fonc.2023.1144153
N/A
0DataRank · unranked
16 citations

Cody L. Hoop, Karen Stefanisko, Sergey G. Tarasov, Sourav Sinha, Marc C. Nicklaus +2 more

Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a “non-druggable” target, STAT3 N-terminal domain

ChemRxiv(2023)10.26434/chemrxiv-2023-c1n52
N/A
0DataRank · unranked
1 citations

Cody L. Hoop, Karen Stefanisko, S. Yu. Tarasov, Sourav Sinha, Marc C. Nicklaus +2 more