InChI Full List of Publications & Presentations

InChI Full List of Publications & Presentations

 
Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study: [types field=”sciencepapersauthors”][/types]
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ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images: [types field=”sciencepapersauthors”][/types]
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Human-Readable SMILES: Translating Cheminformatics to Chemistry: [types field=”sciencepapersauthors”][/types]
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Reaction SPL-extension of a public document markup standard to chemical reactions: [types field=”sciencepapersauthors”][/types]
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Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data: [types field=”sciencepapersauthors”][/types]
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Oxygen Isotope Exchange Reaction for Untargeted LC–MS Analysis: [types field=”sciencepapersauthors”][/types]
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Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning: [types field=”sciencepapersauthors”][/types]
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Drug repurposing approaches and validation through DISNET data: [types field=”sciencepapersauthors”][/types]
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DrugShot: querying biomedical search terms to retrieve prioritized lists of small molecules: [types field=”sciencepapersauthors”][/types]
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High structure of EmrE reveals the mechanism of proton-coupled substrate transport: [types field=”sciencepapersauthors”][/types]
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A review of molecular representation in the age of machine learning: [types field=”sciencepapersauthors”][/types]
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Acyl-CoA Identification in Mouse Liver Samples Using the In Silico CoA-Blast Tandem Mass Spectral Library: [types field=”sciencepapersauthors”][/types]
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Yuel: Improving the Generalizability of Structure-Free Compound–Protein Interaction Prediction: [types field=”sciencepapersauthors”][/types]
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Transformative choices towards a sustainable academic publishing system: [types field=”sciencepapersauthors”][/types]
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Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds: [types field=”sciencepapersauthors”][/types]
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WikiPathways: Integrating Pathway Knowledge with Clinical Data: [types field=”sciencepapersauthors”][/types]
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Computational methods on food contact chemicals: Big data and in silico screening on nuclear receptors family: [types field=”sciencepapersauthors”][/types]
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Dynamic Buffer Management in Massively Parallel Systems: A Case on GPUs: [types field=”sciencepapersauthors”][/types]
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HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
Data Centric Molecular Analysis and Evaluation of Hepatocellular Carcinoma Therapeutics Using Machine Intelligence-Based Tools: [types field=”sciencepapersauthors”][/types]
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