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Chemoinformatics for Data Scientists
Proceedings of the 22nd International Conference on Information Integration and Web-based Applications & Services, 2020Shrooq A. Alsenan +2 more
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Combichem and chemoinformatics.
Current opinion in drug discovery & development, 2009New developments in cheminformatics are reviewed in the perspective of combinatorial chemistry and drug discovery. One of the most important trends is the realization that the ability to generate compounds in large numbers may not, in isolation, be helpful.
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Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds
Molecular Informatics, 2022Lijo John, G Narahari Sastry
exaly
Chemoinformatics as a Theoretical Chemistry Discipline
Molecular Informatics, 2011Igor I Baskin, Alexandre Varnek
exaly
Genome-Scale Classification of Metabolic Reactions: A Chemoinformatics Approach
Angewandte Chemie - International Edition, 2006João Aires-De-Sousa +1 more
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Two new graphs kernels in chemoinformatics
Pattern Recognition Letters, 2012Benoit Gauzere +2 more
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