Tomasz Danel

jagiellonian university

9H指数

36论文数

635被引数

收录论文 10

发表时间

Benchmarking atom-level explainability against pharmacophore-computed labels in molecular machine learning 在分子机器学习中，对原子级可解释性进行基准测试，以对抗药效基团计算标签

Journal of Computational Science

IF3.7

2026-07-08

OAAI

Adam Sułek; Jakub Klimczak; Jakub Jończyk; Tomasz Kosciolek; Tomasz Danel; Barbara Pucelik

Qsarna: An Online Tool for Smart Chemical Space Navigation in Drug Design Qsarna：一个用于药物设计中智能化学空间导航的在线工具

Journal of Chemical Information and Modeling

IF5.3

2025-07-30

OAAI

Marcin Cieślak; Jan Łęski; Olga Krzysztyńska-Kuleta; Justyna Kalinowska-Tłuścik; Tomasz Danel

Feature-Based Interpolation and Geodesics in the Latent Spaces of Generative Models 生成模型的潜在空间中基于特征的插值和测地线

IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS

IF8.9

2024-09-01

OAAI

Struski, Lukasz; Sadowski, Michal; Danel, Tomasz; Tabor, Jacek; Podolak, Igor T.

Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors 机器学习加速基于药效团的MAO抑制剂虚拟筛选

SCIENTIFIC REPORTS

IF3.9

2024-04-08

OAAI

Cieslak, Marcin; Danel, Tomasz; Krzysztynska-Kuleta, Olga; Kalinowska-Tluscik, Justyna

Relative molecule self-attention transformer

JOURNAL OF CHEMINFORMATICS

IF5.7

2024-01-03

OAAI

Maziarka, Lukasz; Majchrowski, Dawid; Danel, Tomasz; Gainski, Piotr; Tabor, Jacek; Podolak, Igor; Morkisz, Pawel; Jastrzebski, Stanislaw

Deep Learning Models Capture Histological Disease Activity in Crohn's Disease and Ulcerative Colitis with High Fidelity

JOURNAL OF CROHNS & COLITIS

IF8.7

2023-10-10

OAAI

Rymarczyk, Dawid; Schultz, Weiwei; Borowa, Adriana; Friedman, Joshua R.; Danel, Tomasz; Branigan, Patrick; Chalupczak, Michal; Bracha, Anna; Krawiec, Tomasz; Warchol, Michal; Li, Katherine; De Hertogh, Gert; Zielinski, Bartosz; Ghanem, Louis R.; Stojmirovic, Aleksandar

Extended study on atomic featurization in graph neural networks for molecular property prediction 用于分子性质预测的图神经网络中原子特征化的扩展研究

JOURNAL OF CHEMINFORMATICS

IF5.7

2023-09-19

OAAI

Wojtuch, Agnieszka; Danel, Tomasz; Podlewska, Sabina; Maziarka, Lukasz

Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-05-24

OAAI

Cieplinski, Tobiasz; Danel, Tomasz; Podlewska, Sabina; Jastrzebski, Stanislaw