My 50 Years with Chemoinformatics.

IF 2.8 4区 医学 Q3 CHEMISTRY, MEDICINAL Molecular Informatics Pub Date : 2024-10-15 DOI:10.1002/minf.202400036
Johann Gasteiger
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我的化学信息学 50 年。
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来源期刊
Molecular Informatics
Molecular Informatics CHEMISTRY, MEDICINAL-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
7.30
自引率
2.80%
发文量
70
审稿时长
3 months
期刊介绍: Molecular Informatics is a peer-reviewed, international forum for publication of high-quality, interdisciplinary research on all molecular aspects of bio/cheminformatics and computer-assisted molecular design. Molecular Informatics succeeded QSAR & Combinatorial Science in 2010. Molecular Informatics presents methodological innovations that will lead to a deeper understanding of ligand-receptor interactions, macromolecular complexes, molecular networks, design concepts and processes that demonstrate how ideas and design concepts lead to molecules with a desired structure or function, preferably including experimental validation. The journal''s scope includes but is not limited to the fields of drug discovery and chemical biology, protein and nucleic acid engineering and design, the design of nanomolecular structures, strategies for modeling of macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. As a unique feature Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal.
期刊最新文献
GDMol: Generative Double-Masking Self-Supervised Learning for Molecular Property Prediction. GCLmf: A Novel Molecular Graph Contrastive Learning Framework Based on Hard Negatives and Application in Toxicity Prediction. Chemoinformatics for corrosion science: Data-driven modeling of corrosion inhibition by organic molecules. ERL-ProLiGraph: Enhanced representation learning on protein-ligand graph structured data for binding affinity prediction. My 50 Years with Chemoinformatics.
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