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2020 · Scientific Reports

Characterization of complex fluvio–deltaic deposits in Northeast China using multi-modal machine learning fusion

Cyril D. Boateng, Li‐Yun Fu, Sylvester K. Danuor

Due to the lack of petroleum resources, stratigraphic reservoirs have become an important source of future discoveries. We describe a methodology for predicting reservoir sands from complex reservoir seismic data. Data analysis involves a bio-integrated framework called multi-modal machine learning fusion (MMMLF) based on neural networks. First, acoustic-related seismic attributes from post-stack seismic data were used to characterize the reservoirs. They enhanced the understanding of the structure and spatial distribution of petrophysical properties of lithostratigraphic reservoirs. The attributes were then classified as varied modal inputs into a central fusion engine for prediction. We applied the method to a dataset from Northeast China. Using seismic attributes and rock physics relationships as input data, MMMLF was performed to predict the spatial distribution of lithology in the Upper Guantao substrata. Despite the large scattering in the acoustic-related data properties, the proposed MMMLF methodology predicted the distribution of lithological properties through the gamma ray logs. Moreover, complex stratigraphic traps such as braided fluvial sandstones in the fluvio-deltaic deposits were delineated. These findings can have significant implications for future exploration and production in Northeast China and similar petroleum provinces around the world.

12 citations3 viewsFull text
DOI: 10.1038/s41598-020-70382-7
2017 · Scientific Reports

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete

To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur. Drug development involves assessment of absorption, distribution, metabolism and excretion (ADME) increasingly earlier in the discovery process, at a stage when considered compounds are numerous but access to the physical samples is limited. In that context, computer models constitute valid alternatives to experiments. Here, we present the new SwissADME web tool that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar. Easy efficient input and interpretation are ensured thanks to a user-friendly interface through the login-free website http://www.swissadme.ch. Specialists, but also nonexpert in cheminformatics or computational chemistry can predict rapidly key parameters for a collection of molecules to support their drug discovery endeavours.

17,671 citations5 viewsFull text
DOI: 10.1038/srep42717