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June 4, 2026
Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye Molecules
James Wellnitz, Travis Maxfield, Matthew Hart, et al.
Biorxiv : the Preprint Server for Biology
|
February 3, 2025
Breaking the Phalanx: Overcoming Bacterial Drug Resistance with Quorum Sensing Inhibitors that Enhance Therapeutic Activity of Antibiotics
Jon-Michael Beasley, Dorjbal Dorjsuren, Sankalp Jain, et al.
Journal of Chemical Information and Modeling
|
May 20, 2024
STOPLIGHT: A Hit Scoring Calculator
James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, et al.
Toxics
|
November 26, 2024
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, et al.
Environmental Health Perspectives
|
May 19, 2025
DeTox: an <i>In-Silico</i> Alternative to Animal Testing for Predicting Developmental Toxicity Potential
Ricardo Scheufen Tieghi, Marielle Rath, José Teófilo Moreira-Filho, et al.
Journal of Medicinal Chemistry
|
September 7, 2023
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds
Vinicius M Alves, Adam Yasgar, James Wellnitz, et al.
Journal of Medicinal Chemistry
|
April 3, 2024
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles
Marielle Rath, James Wellnitz, Holli-Joi Martin, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Research Square
|
June 4, 2026
Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye Molecules
James Wellnitz, Travis Maxfield, Matthew Hart, et al.
Biorxiv : the Preprint Server for Biology
|
February 3, 2025
Breaking the Phalanx: Overcoming Bacterial Drug Resistance with Quorum Sensing Inhibitors that Enhance Therapeutic Activity of Antibiotics
Jon-Michael Beasley, Dorjbal Dorjsuren, Sankalp Jain, et al.
Journal of Chemical Information and Modeling
|
May 20, 2024
STOPLIGHT: A Hit Scoring Calculator
James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, et al.
Toxics
|
November 26, 2024
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, et al.
Environmental Health Perspectives
|
May 19, 2025
DeTox: an <i>In-Silico</i> Alternative to Animal Testing for Predicting Developmental Toxicity Potential
Ricardo Scheufen Tieghi, Marielle Rath, José Teófilo Moreira-Filho, et al.
Journal of Medicinal Chemistry
|
September 7, 2023
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds
Vinicius M Alves, Adam Yasgar, James Wellnitz, et al.
Journal of Medicinal Chemistry
|
April 3, 2024
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles
Marielle Rath, James Wellnitz, Holli-Joi Martin, et al.
Page
of 1