Paper Review Records
All Paper Review Records
20 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.
SpaceExpander: An Automated System for Drafting Markush Claims to Expand Chemical Space
AuthorsRui Wu; Liyun Mao; Yanyan Diao; Honglin Li
Affiliations1. School of Pharmacy East China University of Science and Technology Shanghai China; 2. Innovation Center for AI and Drug Discovery School of Pharmacy East China Normal University Shanghai China
A Structure‐Informed Atlas of Venom‐Derived Peptides Reveals the Organization of Chemical Space
AuthorsThaís Caroline Gonçalves; Eduardo Henrique Toral Cortez; Danilo T. Amaral
Affiliations1. Centro de Ciências Naturais e Humanas Universidade Federal do ABC (UFABC) São Paulo Brazil
ConGen: Targeted Molecule Generation Through Contrastive Learning and Latent Optimization
AuthorsCan Koban; Gökçe Uludoğan; Elif Ozkirimli; Arzucan Özgür
Affiliations1. Department of Computer Engineering Boğaziçi University Istanbul Turkey; 2. Science and Research Informatics F. Hoffmann‐La Roche Ltd Basel Switzerland
Novel Molecules Generation Using Graph Generative Adversarial Networks
AuthorsAmodini A. P.; Chandra Mohan Dasari; Santhosh Amilpur
Affiliations1. Computer Science and Engineering Group Indian Institute of Information Technology Sri City India; 2. Department of Computer Science and Engineering Indian Institute of Information Technology Design and Manufacturing Kurnool Kurnool India
An Attention‐Driven Graph Transformer With Nonlinear Modeling and Neuro‐Fuzzy Fusion for High‐Order Toxic Molecular Graph Learning
AuthorsPhu Pham
Affiliations1. Faculty of Information Technology HUTECH University Ho Chi Minh City Vietnam
Molecular Modeling and Chemoinformatics in Ukraine
AuthorsDmytro M. Volochnyuk; Serhiy V. Ryabukhin
Affiliations1. Enamine Ltd. Kyiv Ukraine; 2. Institute of Organic Chemistry NAS of Ukraine Kyiv Ukraine; 3. Taras Shevchenko National University of Kyiv Kyiv Ukraine; 4. Enamine Scientific Research Institute Kyiv Ukraine
Constellation Plots in KNIME: An Automated Scaffold‐Based Workflow for Interactive Chemical Space Visualization
AuthorsCarlos D. Ramírez‐Márquez; Edgar López‐López; José L. Medina‐Franco
Affiliations1. DIFACQUIM Research Group Department of Pharmacy School of Chemistry Universidad Nacional Autónoma de México Mexico; 2. Department of Pharmaceutical Biosciences Uppsala University Uppsala Sweden
ADME‐DTI: Augmented Deep Meta Ensemble for Drug–Target Interaction Prediction
AuthorsTariq Sha’ban; Ahmad M. Mustafa; Mostafa Z. Ali; Talal Z. Ali
Affiliations1. Department of Computer Information Systems Jordan University of Science and Technology Irbid Jordan; 2. Wayne State University Detroit Michigan USA
ChemBang: Expanding the Chemical Space Around Small Molecules
AuthorsDiana Montes‐Grajales; Luca Menestrina; Ricard Garcia‐Serna; Jordi Mestres
Affiliations1. Chemotargets SL Parc Cientific de Barcelona Barcelona Spain; 2. Institut de Quimica Computacional i Catalisi Facultat de Ciencies Universitat de Girona Girona Spain
Current Insights on Skin Permeability Data and Quantitative Structure‐Property Relationship Modeling
AuthorsFarah Asgarkhanova; Shamkhal Baybekov; Gilles Marcou; Catherine Champmartin; Lisa Chedik; Frédéric Cosnier; Mikhail Volkov; Louis Plyer; Dragos Horvath; Alexandre Varnek
Affiliations1. Laboratory of Chemoinformatics UMR 7140 University of Strasbourg Strasbourg France; 2. Dept Toxicologie et Biométrologie 1 rue du Morvan Institut national de recherche et de sécurité pour la prévention des accidents du travail et des maladies professionnelles (INRS) Vandoeuvre‐lès‐Nancy France
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