Paper Review Records
All Paper Review Records
24 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.
279
days
Transformers for molecular property prediction: domain adaptation efficiently improves performance
Authors
Afnan Sultan; Max Rausch-Dupont; Shahrukh Khan; Olga Kalinina; Dietrich Klakow; Andrea VolkamerShow moreShow less
Affiliations
1. Data Driven Drug Design, Center for Bioinformatics, PharmaScienceHub (PSH), Saarland University, Saarbrücken, Germany; 2. Spoken Language Systems, PharmaScienceHub (PSH), Saarland Informatics Campus, Saarland University, Saarbrücken, Germany; 3. Drug Bioinformatics, Center for Bioinformatics, Medical Faculty, PharmaScienceHub (PSH), Saarland University, Saarbrücken, Germany; 4. Helmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection Research (HZI), PharmaScienceHub (PSH), Saarbrücken, GermanyShow moreShow less
95
days
Computational mapping of productive POI–E3 ligase conformations to guide de novo degrader design: application to WEE1 and PKMYT1 PROTACs
Authors
Husam Nassar; Matthias Schmidt; Hany S. Ibrahim; Dina Robaa; Wolfgang SipplShow moreShow less
Affiliations
1. Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University Halle-Wittenberg, Halle (Saale), GermanyShow moreShow less
137
days
Evaluation of deep learning architectures for predicting ligand interactions with neurologically relevant GPCRs
Authors
Souvik Dey; Pinyi Lu; Anders Wallqvist; Mohamed Diwan M. AbdulHameedShow moreShow less
Affiliations
1. Department of Defense Biotechnology High Performance Computing Software Applications Institute, Defense Health Agency Research & Development, Medical Research and Development Command, Fort Detrick, USA; 2. The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc., Bethesda, USAShow moreShow less
158
days
EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties
Authors
Xiaobo Lin; Logan T. Kearney; Zhaoqian Su; Yunchao Liu; Amit K. Naskar; Debsindhu BhowmikShow moreShow less
Affiliations
1. Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, USA; 2. Research, Takeda Pharmaceutical Company Ltd., Cambridge, USA; 3. Broad Institute of MIT and Harvard, Cambridge, USA; 4. Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, USAShow moreShow less
119
days
Smiles-based bioactivity prediction through molecular encoder selection and data augmentation
Authors
Ju Hyung Lee; Seongik Choi; Utku Ozbulak; Joris Vankerschaver; Wesley De NeveShow moreShow less
Affiliations
1. Center for Biosystems and Biotech Data Science, Ghent University Global Campus, Incheon, South Korea; 2. Department of Electronics and Information Systems, Ghent University, Ghent, Belgium; 3. Computational Data Sciences Department, George Mason University Korea, Incheon, South Korea; 4. Department of Applied Mathematics, Computer Science and Statistics, Ghent University, Ghent, BelgiumShow moreShow less
129
days
MINERVA: a public XAI-powered platform advancing multi-target discovery in Alzheimer’s disease
Authors
Nicola Gambacorta; Daniela Trisciuzzi; Fabrizio Mastrolorito; Francesco Leonetti; Cosimo D. Altomare; Modesto de Candia; Marco Catto; Nicola Amoroso; Fulvio Ciriaco; Orazio NicolottiShow moreShow less
Affiliations
1. Department of Biosciences, Biotechnology and Environment, University of Bari Aldo Moro, Bari, Italy; 2. Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Bari, Italy; 3. Department of Chemistry, University of Bari Aldo Moro, Bari, ItalyShow moreShow less
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