Martin Sícho

According to our database, Martin Sícho authored at least 13 papers between 2015 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design.

Alan Kai Hassen, Martin Sícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P. A. Janssen, Gerard J. P. van Westen, Mike Preuss

J. Cheminformatics, December, 2025

TEMPL: A Template-Based Protein-Ligand Pose Prediction Baseline.

Jozef Fülöp, Martin Sícho, Wim Dehaen

J. Chem. Inf. Model., 2025

Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists.

Khaled Essa, Kian Noorman van der Dussen, Yao Yao, Bente Bleijs, Natalia V. Ortiz Zacarias, Laura H. Heitman, Gerard J. P. van Westen, Willem Jespers, Daan van der Es, Martin Sícho

J. Chem. Inf. Model., 2025

2024

QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool.

Helle W. van den Maagdenberg, Martin Sícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet H. Van Der Graaf, Gerard J. P. van Westen

J. Cheminformatics, December, 2024

AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models.

Andrius Bernatavicius, Martin Sícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuss, Gerard J. P. van Westen

J. Chem. Inf. Model., 2024

2023

DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.

Martin Sícho, Sohvi Luukkonen, Helle W. van den Maagdenberg, Linde Schoenmaker, Olivier J. M. Béquignon, Gerard J. P. van Westen

J. Chem. Inf. Model., June, 2023

2021

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.

Martin Sícho, Xuhan Liu, Daniel Svozil, Gerard J. P. van Westen

J. Cheminformatics, 2021

2020

NERDD: a web portal providing access to in silico tools for drug discovery.

Conrad Stork, Gerd Embruch, Martin Sícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair

Bioinform., 2020

2019

Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters.

Conrad Stork, Ya Chen, Martin Sícho, Johannes Kirchmair

J. Chem. Inf. Model., 2019

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.

Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair

J. Chem. Inf. Model., 2019

2018

Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability".

Martin Sícho, Milan Vorsilák, Daniel Svozil

J. Cheminformatics, 2018

2017

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Martin Sícho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair

J. Chem. Inf. Model., August, 2017

2015

Activity-driven exploration of chemical space with morphing.

Martin Sícho, Daniel Svozil, David Hoksza

Proceedings of the 2015 IEEE International Conference on Bioinformatics and Biomedicine, 2015