Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

por Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Publicado 2015

Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics

por Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Publicado 2019

Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking

por Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Publicado 2019

Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints

por Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Publicado 2018

Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR

por Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Publicado 2019

Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification

por Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Publicado 2021

Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles

por Rácz, Anita, Andrić, Filip, Bajusz, Dávid, Héberger, Károly
Publicado 2018

Discrimination Ability of Assessors in Check-All-That-Apply Tests: Method and Product Development

por Gere, Attila, Bajusz, Dávid, Biró, Barbara, Rácz, Anita
Publicado 2021

Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design

por Dargó, Gergő, Bajusz, Dávid, Simon, Kristóf, Müller, Judit, Balogh, György T.
Publicado 2020

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics(†)

por Miranda-Quintana, Ramón Alain, Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Publicado 2021

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection

por Miranda-Quintana, Ramón Alain, Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Publicado 2021

Extended many-item similarity indices for sets of nucleotide and protein sequences

por Bajusz, Dávid, Miranda-Quintana, Ramón Alain, Rácz, Anita, Héberger, Károly
Publicado 2021

Machine learning models for classification tasks related to drug safety

por Rácz, Anita, Bajusz, Dávid, Miranda-Quintana, Ramón Alain, Héberger, Károly
Publicado 2021

Discovery of a Non-Nucleoside SETD2 Methyltransferase Inhibitor against Acute Myeloid Leukemia

por Bajusz, Dávid, Bognár, Zsolt, Ebner, Jessica, Grebien, Florian, Keserű, György M.
Publicado 2021

Consensus Virtual Screening Identified [1,2,4]Triazolo[1,5‐b]isoquinolines As MELK Inhibitor Chemotypes

por Rácz, Anita, Palkó, Roberta, Csányi, Dorottya, Riedl, Zsuzsanna, Bajusz, Dávid, Keserű, György M.
Publicado 2021

Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices

por Rácz, Anita, Mihalovits, Levente M., Bajusz, Dávid, Héberger, Károly, Miranda-Quintana, Ramón Alain
Publicado 2022

SH2db, an information system for the SH2 domain

por Bajusz, Dávid, Pándy-Szekeres, Gáspár, Takács, Ágnes, de Araujo, Elvin D, Keserű, György M
Publicado 2023

DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders

por Rachman, Moira, Scarpino, Andrea, Bajusz, Dávid, Pálfy, Gyula, Vida, István, Perczel, András, Barril, Xavier, Keserű, György M.
Publicado 2019

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

por Scarpino, Andrea, Bajusz, Dávid, Proj, Matic, Gobec, Martina, Sosič, Izidor, Gobec, Stanislav, Ferenczy, György G., Keserű, György M.
Publicado 2019

Discovery of a novel kinase hinge binder fragment by dynamic undocking

por Rachman, Moira, Bajusz, Dávid, Hetényi, Anasztázia, Scarpino, Andrea, Merő, Balázs, Egyed, Attila, Buday, László, Barril, Xavier, Keserű, György M.
Publicado 2020