back to article Free AI protein software packages nearly predicted structure of the Omicron coronavirus variant correctly

Using two different free protein-predicting AI algorithms, computer scientists were almost able to model Omicron before the coronavirus variant had been physically mapped. Colby Ford, a researcher at the University of North Carolina, ran simulations using DeepMind's AlphaFold and the University of Washington's RoseTTAFold to …

  1. Version 1.0 Silver badge
    Happy

    Nice to see AI working

    I think that life is improving, these days Omicron is busy vaccinating all the un-vaccinated people. But had this research been done in China then lots of idiots would be running around screaming.

    The basis for this AI work has been around for a long time and it's nice to see it working, it has the potential to help a lot of things, my initial thought is what this might do to help human health by documented the good food that we don't like, and bad food that we eat a lot.

    1. Korev Silver badge
      Boffin

      Re: Nice to see AI working

      As structure predictions go this isn't hugely hard, it's an already well-characterised protein with just a few residues differing. It's good to be able to do it though.

      1. Spoobistle

        Re: Nice to see AI working

        Quite so, but AI has had some notorious slip ups where small changes in the input data results in large changes in the predictions. It would have been a huge surprise if the omicron spike protein structure had been significantly different from the previous variants, and a bad AI prediction would have been a definite egg-on-face moment for the technique.

        AI has great potential for use as a pre-screen if its predictions correlate reliably with experimental data, so that experimental resources, always too scarce, can be concentrated on good candidates but the hard work is ahead on establishing quality and reliability measures for the predictions.

      2. Charlie Clark Silver badge

        Re: Nice to see AI working

        I think the real advantage is that it's another part of the puzzle. The money that has been thrown at SARS-COV2 itself is ludicrous but the tools that have been developed including the sequencing, folding and the analysis of the method of attack and distribution, mean that we're now getting closer to reasonable simulations. This could come in very handy given the size of the list of zoonotic candidates.

    2. fidodogbreath

      Re: Nice to see AI working

      But had this research been done in China then lots of idiots would be running around screaming.

      They do that all day regardless. Might have briefly changed what they were screaming about, though.

  2. Chris G

    "Governments could go through the cache of hypothetical drugs DarkNPS developed and ban them, even before anyone actually produces or distributes them,"

    How does a ban before they are even made stop anyone anymore than the bans on existing illegal drugs?

    If anything, this program will point out to suppliers what to aim for in their next 'designer high'.

    1. Anonymous Coward
      Anonymous Coward

      AFAIK, banning synthetics has been a game of whack-a-mole. Some synthetic gets banned and a shady supplier creates a slightly different drug that's technically legal to sell. No effect on the guy selling on a street corner. The bans have an affect on the type of stores that sell bongs "for tobacco only".

      1. Wellyboot Silver badge

        Playing whack-a-mole is not needed, you simply ban all non licensed drugs and require a similar license to undertake any research into the same.

        It won't make any difference to the manufacturers/pushers/users, they'll still do what they do but without the 'it's not illegal yet' loophole.

        1. Arthur the cat Silver badge

          you simply ban all non licensed drugs

          Like the psychoactive components of tea and coffee? That's going to play well with the Great British Public. "What do you mean, I'm nicked for possessing PG Tips?"

          1. Yet Another Anonymous coward Silver badge

            Like stopping child porn by banning all sequences of numbers until any image they form has been approved by the BBFC?

            1. W.S.Gosset
              Happy

              "Oh god, won't SOMEONE approve of the children!?!"

          2. TRT Silver badge

            Tea is the opium of the masses.

            Or at least it was until opium achieved total market penetration.

            Now opium is the opium of the masses.

            Like when tea became the tea of the masses instead of small beer.

          3. Roland6 Silver badge

            Don't worry - PG Tips will only be a Class C drug, Yorkshire Tea on the other hand...

        2. WanderingHaggis
          Pint

          If I remember correctly in pharmacology anything that can enter / interact with your body is considered a drug. So you would either have to create a new working definition of naughty drug or licence stuff like water, food etc -- tricky that.

          1. TRT Silver badge

            "anything that can enter your body is considered a drug."

            In that case I'm packing a class A substance, baby!

  3. This post has been deleted by its author

  4. TRT Silver badge

    8.9 million substances...

    and 200 are real!

    Well there you go. Obviously worth it.

    Now, predict the position of a needle in a haystack.

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