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Expert Opinion on Drug Discovery
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June 7, 2022
Maximizing the integration of virtual and experimental screening in hit discovery
Dávid Bajusz, György M Keserű
Molecules (Basel, Switzerland)
|
July 27, 2019
Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking
Dávid Bajusz, Anita Rácz, Károly Héberger
Molecules (Basel, Switzerland)
|
August 4, 2019
Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics
Anita Rácz, Dávid Bajusz, Károly Héberger
Molecules (Basel, Switzerland)
|
March 6, 2021
Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification
Anita Rácz, Dávid Bajusz, Károly Héberger
Journal of Cheminformatics
|
October 6, 2018
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
Anita Rácz, Dávid Bajusz, Károly Héberger
Molecular Informatics
|
April 5, 2019
Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR
Anita Rácz, Dávid Bajusz, Károly Héberger
Journal of Cheminformatics
|
June 9, 2015
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
Dávid Bajusz, Anita Rácz, Károly Héberger
Bioorganic & Medicinal Chemistry
|
March 6, 2019
The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors
Attila Egyed, Dávid Bajusz, György M Keserű
Journal of Chemical Information and Modeling
|
December 20, 2015
Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening
Dávid Bajusz, György G Ferenczy, György M Keserű
Metabolomics : Official Journal of the Metabolomic Society
|
March 24, 2018
Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles
Anita Rácz, Filip Andrić, Dávid Bajusz, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 63) with videos related to
Sort By:
Page
of 7
Expert Opinion on Drug Discovery
|
June 7, 2022
Maximizing the integration of virtual and experimental screening in hit discovery
Dávid Bajusz, György M Keserű
Molecules (Basel, Switzerland)
|
July 27, 2019
Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking
Dávid Bajusz, Anita Rácz, Károly Héberger
Molecules (Basel, Switzerland)
|
August 4, 2019
Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics
Anita Rácz, Dávid Bajusz, Károly Héberger
Molecules (Basel, Switzerland)
|
March 6, 2021
Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification
Anita Rácz, Dávid Bajusz, Károly Héberger
Journal of Cheminformatics
|
October 6, 2018
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
Anita Rácz, Dávid Bajusz, Károly Héberger
Molecular Informatics
|
April 5, 2019
Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR
Anita Rácz, Dávid Bajusz, Károly Héberger
Journal of Cheminformatics
|
June 9, 2015
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
Dávid Bajusz, Anita Rácz, Károly Héberger
Bioorganic & Medicinal Chemistry
|
March 6, 2019
The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors
Attila Egyed, Dávid Bajusz, György M Keserű
Journal of Chemical Information and Modeling
|
December 20, 2015
Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening
Dávid Bajusz, György G Ferenczy, György M Keserű
Metabolomics : Official Journal of the Metabolomic Society
|
March 24, 2018
Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles
Anita Rácz, Filip Andrić, Dávid Bajusz, et al.
Page
of 7