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Review Cycle Records

Journal of Cheminformatics

Springer SCIE OA
2026 Emerging Zone 12025 CAS Zone 22025 JCR Q1
162.7Average days
133Median days
89Fastest days
301Longest days
1962025 publications

Paper Review Records

All Paper Review Records

19 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.

117 days

BONAFIDE: a Python framework for the calculation of local features for atoms and bonds in molecules

AuthorsLukas M. Sigmund; Michele Assante; Matthew Ball; Mikhail Kabeshov

Affiliations1. Molecular AI, Discovery Sciences, R&D, AstraZeneca Gothenburg, Mölndal, Sweden; 2. Innovation Centre in Digital Molecular Technologies, Department of Chemistry, University of Cambridge, Cambridge, UK; 3. Compound Synthesis and Management, The Discovery Centre, Cambridge Biomedical Campus, AstraZeneca Cambridge, Cambridge, UK; 4. Laboratory of Cheminformatics, University of Strasbourg, Strasbourg, France

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112 days

Computational applications in secondary metabolite discovery (CAiSMD) 2026: focus on secondary metabolites towards drug discovery

AuthorsFidele Ntie-Kang; Jude Y. Betow; Donatus B. Eni; Jonathan A. Metuge; Albisto Adriano; Mary Anti Chama; Hans Denis Bamal; Philippe Belle Ebanda Kedi; Lívia Mendes Campos; Abubakar Sadiq Abdullahi; Gabriel Francisco Filippin Medina; Seraphin B. N. Mbeket; Yemi A. Adekunle; Alice Rhelly V. Carvalho; Bruno D. A. Akamba; Christianah Adebimpe Dare; Yoshua B. Mtulo; Edgar López-López; Yannick Djoumbou-Feunang; Clovis S. Metuge; Solange Ndamo; Daniel M. Shadrack; Bakary N’tji Diallo; Boris D. Bekono; Marilia Valli; James A. Mbah; Saheed Sabiu; Samuel A. Egieyeh; José L. Medina-Franco; Jutta Ludwig-Müller

Affiliations1. Center for Drug Discovery, Faculty of Science, University of Buea, Buea, Cameroon; 2. Department of Chemistry, Faculty of Science, University of Buea, Buea, Cameroon; 3. Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, Halle, Germany; 4. Department of Chemistry, Higher Teachers’ Training College, University of Buea, Buea, Cameroon; 5. Department of Natural Resources and Environmental Sciences, Alabama A&M University, Huntsville, USA; 6. Biodiversity and Medicinal Chemistry Group, School of Pharmaceutical Sciences of Ribeirão Preto (FCFRP), Department of Pharmaceutical Sciences, University of São Paulo, São Paulo, Brazil; 7. Department of Chemistry, University of Ghana, Accra, Ghana; 8. Department of Pharmaceutical Sciences, University of Douala, Douala, Cameroon; 9. Faculty of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo (USP), Ribeirão Preto, Brazil; 10. Young Researchers Forum of Nigeria, Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Nigeria, Nsukka, Nigeria; 11. Department of Physics, Faculty of Science, University of Ngaoundere, Ngaoundere, Cameroon; 12. Department of Pharmaceutical and Medicinal Chemistry, College of Pharmacy, Afe Babalola University, Ado-Ekiti, Nigeria; 13. Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Ibadan, Ibadan, Nigeria; 14. Centre for Natural Product Discovery, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK; 15. Department of Biochemistry, Faculty of Science, University of Yaoundé I, Yaoundé, Cameroon; 16. Center of Nutrition and Functional Foods, Yaoundé, Cameroon; 17. The Nelson Mandela African Institute of Science and Technology, Arusha, Tanzania; 18. Department of Biochemistry, Osun State University, Osogbo, Nigeria; 19. Department of Educational Psychology and Curriculum Studies, The University of Dodoma, Dodoma, Tanzania; 20. Department of Pharmaceutical Biosciences and Science for Life Laboratory, Uppsala University, Uppsala, Sweden; 21. Corteva Agriscience, Research, 1862 White Sands Street, United States; 22. Department of Chemistry, Saint John University of Dodoma, Dodoma, Tanzania; 23. University of Science Techniques and Technologies of Bamako (USTTB), Bamako, Mali; 24. Department of Physics, Ecole Normale Supérieure, University of Yaounde 1, Yaoundé, Cameroon; 25. Computational and System Biology Research Group, Department of Biotechnology and Food Science, Durban University of Technology, Durban, South Africa; 26. School of Pharmacy, University of the Western Cape, Cape Town, South Africa; 27. DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, Mexico City, Mexico; 28. Faculty of Biology, Technische Universität Dresden, Dresden, Germany

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132 days

Using MR-chordless circuits for efficient enumeration of autocatalytic cores in large chemical reaction networks

AuthorsRichard Golnik; Nicola Vassena; Peter F. Stadler; Thomas Gatter

Affiliations1. Bioinformatics Group, Department of Computer Science, Leipzig University, Leipzig, Germany; 2. Zuse School for Embedded and Composite Artificial Intelligence (SECAI), Leipzig University, Leipzig, Germany; 3. Interdisciplinary Center for Bioinformatics, Leipzig University, Leipzig, Germany; 4. Center for Scalabale Data Analytics and Artificial Intelligence, Leipzig University, Leipzig, Germany; 5. Max Planck Institute for Mathematics in the Sciences, Leipzig, Germany; 6. Department of Theoretical Chemistry, University of Vienna, Wien, Austria; 7. Facultad de Ciencias, Universidad National de Colombia, Bogotá, Colombia; 8. Center for non-coding RNA in Technology and Health, University of Copenhagen, Frederiksberg, Denmark; 9. Santa Fe Institute, Santa Fe, USA

Source PDF DOI Publisher page
127 days

The impact of reward scalarization and weight scheduling on optimization dynamics in multi-objective molecular design

AuthorsLucas Leuschner; Oscar Palomino-Hernandez

Affiliations1. Department of Chemistry, Johannes Gutenberg University Mainz, Mainz, Germany; 2. Institute for Quantitative and Computational Biosciences (IQCB), Johannes Gutenberg University Mainz, Mainz, Germany

Source PDF DOI Publisher page
89 days

Fast intermolecular interaction energy calculation with the OPLS-AA force field

AuthorsMirco Daniel; Hannah Kullik; Martin Urban; Christoph Steinbeck; Achim Zielesny

Affiliations1. Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, Recklinghausen, Germany; 2. Microverse Center Jena, Friedrich-Schiller University, Jena, Germany

Source PDF DOI Publisher page
240 days

A decoupled alignment kernel for peptide membrane permeability predictions

AuthorsAli Amirahmadi; Gökçe Geylan; Leonardo De Maria; Farzaneh Etminani; Mattias Ohlsson; Alessandro Tibo

Affiliations1. Center for Applied Intelligent Systems Research in Health, Halmstad University, Halmstad, Sweden; 2. Molecular AI, Discovery Sciences, R&D, AstraZeneca, Mölndal, Sweden; 3. Division of Systems and Synthetic Biology, Department of Life Sciences, Chalmers University of Technology, Gothenburg, Sweden; 4. Medicinal Chemistry, Research and Early Development, Respiratory & Immunology, BioPharmaceuticals R&D, AstraZeneca, Mölndal, Sweden; 5. Department of Research and Development (FoU), Region Halland, Halmstad, Sweden; 6. Centre for Environmental and Climate Science, Computational Science for Health and Environment, Lund University, Lund, Sweden

Source PDF DOI Publisher page
136 days

How well can off-the-shelf LLMs elucidate molecular structures from mass spectra using chain-of-thought reasoning?

AuthorsYufeng Wang; Lu Wei; Lin Liu; Hao Xu; Haibin Ling

Affiliations1. Department of Computer Science, Stony Brook University, Stony Brook, USA; 2. Department of Chemistry, Stanford University, Stanford, USA; 3. Department of Medicine, Brigham and Women’s Hospital, Harvard Medical School, Boston, USA; 4. Department of Artificial Intelligence, Westlake University, Hangzhou, China

Source PDF DOI Publisher page
279 days

Transformers for molecular property prediction: domain adaptation efficiently improves performance

AuthorsAfnan Sultan; Max Rausch-Dupont; Shahrukh Khan; Olga Kalinina; Dietrich Klakow; Andrea Volkamer

Affiliations1. 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, Germany

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95 days

Computational mapping of productive POI–E3 ligase conformations to guide de novo degrader design: application to WEE1 and PKMYT1 PROTACs

AuthorsHusam Nassar; Matthias Schmidt; Hany S. Ibrahim; Dina Robaa; Wolfgang Sippl

Affiliations1. Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University Halle-Wittenberg, Halle (Saale), Germany

Source PDF DOI Publisher page
137 days

Evaluation of deep learning architectures for predicting ligand interactions with neurologically relevant GPCRs

AuthorsSouvik Dey; Pinyi Lu; Anders Wallqvist; Mohamed Diwan M. AbdulHameed

Affiliations1. 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, USA

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Machine Learning and Life-Cycle Assessment for Predicting and Optimizing Carbon Emissions in Urban Wastewater Treatment

SampleLatest 5 valid paper samples from 2026

Average review96.4 days

Median77 days

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