InChI Full List of Publications & Presentations

InChI Full List of Publications & Presentations

 
Pharmaceutical pollution: Prediction of environmental concentrations from national wholesales data: [types field=”sciencepapersauthors”][/types]
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Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system: [types field=”sciencepapersauthors”][/types]
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canSAR chemistry registration and standardization pipeline: [types field=”sciencepapersauthors”][/types]
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Digital Discovery: [types field=”sciencepapersauthors”][/types]
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Uni-Mol: A Universal 3D Molecular Representation Learning Framework: [types field=”sciencepapersauthors”][/types]
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CrystalNets. jl: Identification of Crystal Topologies: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
The LOTUS initiative for open knowledge management in natural products research: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
BioHackathon 2015: Semantics of data for life sciences and reproducible research: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
MolMiner: You only look once for chemical structure recognition: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
Nutrient concentrations in food display universal behavior: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
Object approach to the organic molecule representation: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
COMPARISON OF NON-LEARNED AND LEARNED MOLECULE REPRESENTATIONS FOR CATALYST DISCOVERY: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs): [types field=”sciencepapersauthors”][/types]
{[types field=”sciencepaperscitation”][/types]}
[types field=”sciencepapersdoi”][/types]
INPUT: An intelligent network pharmacology platform unique for traditional Chinese medicine: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
Reconstruction of lossless molecular representations: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]
Bayesian multi-model-based 13C15N-metabolic flux analysis quantifies carbon-nitrogen metabolism in mycobacteria: [types field=”sciencepapersauthors”][/types]
{[types field=”sciencepaperscitation”][/types]}
[types field=”sciencepapersdoi”][/types]
A general procedure for rounding m/z values in low-resolution mass spectra: [types field=”sciencepapersauthors”][/types]
{[types field=”sciencepaperscitation”][/types]}
[types field=”sciencepapersdoi”][/types]
Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules: [types field=”sciencepapersauthors”][/types]
{[types field=”sciencepaperscitation”][/types]}
[types field=”sciencepapersdoi”][/types]
Predicting biochemical and physiological effects of natural products from molecular structures using machine learning: [types field=”sciencepapersauthors”][/types]
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[types field=”sciencepapersdoi”][/types]