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MarinChem3D

Three-Dimensional Structure Database for Marine Natural Products,Pilot National Laboratory for Marine Science and Technology (Qingdao)

In the exploration of marine resources by human beings, more than 30,000 kinds of marine natural compounds have been discovered. It is one of the most precious treasures of our civilization. In order to turn precious knowledge into productivity and realize the dream of "Blue Pharmacy", in order to sail the marine medicine industry in China, the Pilot National Laboratory for Marine Science and Technology (Qingdao), the Qingdao Marine Biomedical Research Institute and the China Ocean University have summarized all published marine natural products by inquiring tens of thousands of scientific and technical documents. It has established a fine three-dimensional structure database containing 30117 marine natural products that can be directly invoked for artificial intelligence and virtual drug screening. The virtual drug screening is carried out in batch, fast and efficient ways with the aids from the supercomputer. On this basis, under the guidance of artificial intelligence, combined with the experimental researches of biologists and pharmacologists, we quickly discovered and developed targeted drugs for major diseases and guarded the health of all humans from our common blue treasure trove.

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2007-324

ID:2007-324

Fromula:C36H44N4O3

Molecular Weight:580.7770

accptHB:7

donorHB:2

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2004-689

ID:2004-689

Fromula:C27H46O6

Molecular Weight:466.6640

accptHB:6

donorHB:6

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1988-327

ID:1988-327

Fromula:C22H33Cl1N2O2

Molecular Weight:392.9740

accptHB:4

donorHB:1

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