Development of a Python-based electron ionization mass spectrometry amino acid and peptide fragment prediction model

• Dominic N. McBrayer ,

  Roles Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: mcbrayed@newpaltz.edu

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

  https://orcid.org/0000-0003-1806-3627

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• Christina Signoretti ,

  Contributed equally to this work with: Christina Signoretti, Matthew Pesce, Brianna M. Flood, Sneha Varghese, Fares Sirdah

  Roles Investigation, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

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• Matthew Pesce ,

  Contributed equally to this work with: Christina Signoretti, Matthew Pesce, Brianna M. Flood, Sneha Varghese, Fares Sirdah

  Roles Investigation, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

  https://orcid.org/0009-0003-1595-1458

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• Brianna M. Flood ,

  Contributed equally to this work with: Christina Signoretti, Matthew Pesce, Brianna M. Flood, Sneha Varghese, Fares Sirdah

  Roles Investigation, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

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• Sneha Varghese ,

  Contributed equally to this work with: Christina Signoretti, Matthew Pesce, Brianna M. Flood, Sneha Varghese, Fares Sirdah

  Roles Investigation, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

  https://orcid.org/0009-0007-8545-6056

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• Fares Sirdah ,

  Contributed equally to this work with: Christina Signoretti, Matthew Pesce, Brianna M. Flood, Sneha Varghese, Fares Sirdah

  Roles Investigation, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

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• Elena Toscano ,

  Roles Investigation, Visualization, Writing – original draft, Writing – review & editing

  ¶‡ ET, IB and SH also contributed equally to this work.

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

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• Irtiza Bhatti ,

  Roles Investigation, Visualization, Writing – original draft, Writing – review & editing

  ¶‡ ET, IB and SH also contributed equally to this work.

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

  https://orcid.org/0009-0001-5004-754X

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• Shahadat Hossain

  Roles Investigation, Visualization, Writing – original draft, Writing – review & editing

  ¶‡ ET, IB and SH also contributed equally to this work.

  Affiliation Department of Chemistry, State University of New York, New Paltz, New Paltz, NY, United States of America

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