Transfer of Metadata from the Bench to Databases

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Transfer of Metadata from the Bench to Databases
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Interview with Henry Rzepa: Imperial College London, UK, recorded at the BEILSTEIN OPEN SCIENCE SYMPOSIUM (22 – 24 May 2017). Henry Rzepa discusses metadata in chemistry with Carsten Kettner. Before the interview moves on to things chemical, Henry recounts his over 300000 miles of motorbike riding in London visiting the many rivers. The discussion started with the meaning of the term “meta”; in this context metadata refers to the data that are needed to describe data, thus metadata are actually more important and more interesting than the data. The question of format for metadata was raised; whilst the format is not so important, one still needs to query it, so it is necessary to know how to ask the right question. It is important to remember that when building a repository, any mistakes would be permanent. But here, good metadata can help; in the curation of data – correcting errors, bringing it up to date, putting it in a more modern form, and hence giving the data a longer life. Metadata helps make data FAIR; Findable, Accessible, Interoperable and tells you how you can Reuse it. When discussing standards for metadata, Henry raised the issue of understanding what a bond is. Most chemists think they know what a bond is, but in reality probably don’t really know, which means that they are going to need to reach an agreement on how to describe them. In Henry’s view, chemists are like cats, it is very difficult to get more than 4 chemists to agree on anything. But to make things work we need open community efforts. Henry is interested in chemical reactions and their transition states and has modeled them in InChI. For him it is import not to discuss hypothetical or abstract descriptions of how to do something but to actually to try things out, get an example out for the community to use. You have to build real things, and take them a part again – that is how science works.
Keywords open science metadata
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three. so it's great to have a year from imperial college and to your contribution to the bison open science symposium and before we really start please tell me what i hope he says what are my hobbies yeah i have called me out there now i'm writing about a cycle number won big motorcycle.
not a small one number to football follow football club if one full of football club of rome a number three wagner when listening to us listing to live she going to get the upper house and anymore i've probably got more but after gotten out of the lines on your motorway. photo a bike was its own doing the in the countryside in england are based in london my wife comes with me and she doesn't like traveling most about fifty kilometers cause a bottom gets a bit soul so were limited by a physical strain but london's a beautiful places got lots of rivers and of people don't. think of london is having more than one river but we go look at rivers three like flowing water great small big any kind of water i grew up in scotland where there is a lot of water and i kind of hanker for scotland and get a little bit of it in london but more to it too dangerous driving alone on a motorway have been. doing it for forty eight years is obviously is not to injure and i want out what i've done three hundred thousand kilometres in london and the last of my count them they're all west so as not to dangerous if you know you doing. yet and you know what he can do i wasn't doing the same time it's a bit like chemistry you have to predict what they're going to do and i do some silly things but if you go to that you can tell there are signs are going to do something stupid about half a second before they do it and that's that's enough time sometimes is a very elegant twins issue. when i get so it's to and let's talk about chemistry right let's talk about met the data and so what do you think and what what is meant to data well of chemistry is one of those subjects that generates lots of data but only so does mean anything just numbers pure numbers so you got arsenal describe met a data announcement today. later it's a bad name for it. and it's kind of more interesting because describing people and media and i need meditative to describe you. i doing about you and to love got your matter digest i were and are real data is a bit like that as well metre diameter is a fascinating topic and you know why it's called matter data it sounds like metaphysics a metre something in between so what's it was high on him at all look up and wikipedia and i actually have never room. never probe the etymology of it while another mentioned it to a soon as this interview is finished and i will consult lille forty to find out what it does mean for them at a day to day to the disquiet the actually when the news and data and or so the things it won't so the experimental data so are there any proof. for instance the data for which fermented data. all that's an interesting question i'm tighter has lots of formats i'm meant to bite to eat doesn't normally exist in anything other than a database of metre data and so the format is actually on known you don't need to know what it is but you do need to create so you asked a question what do you know. about this data and the web browser or whatever will tell you but you don't care about how they store a got to know however what the right questions on what to say these of a metre data the duo of us have the data the the experimental data that one was for the to say building up a you pause the toy. or i i guess actually best people for the title was the most important thing and then we started doing this about eleven or twelve years ago and over eleven or twelve years we suddenly realized slowly recounts something we like something that the met and i too was both more important and actually more interesting it's tough. and you have a sort of a breakthrough every six months you try tout you see if it works. but no one else was doing it and there was some few people we could ask for their experiences home. we slowly founded the people had to go to iceland to find one expert in the martin fan of for example of flu to iceland so i went to follow him. so eventually you find the community the people who know how to handle metre data how to query it how to set it up what you can't do with better data we got a lot of things wrong we had to go back and redo them and we've got lots of mistakes everywhere because a repository of permanent. that has one side effect if you make mistakes those a permanent in much of science you can sort of race your mistakes but if you're making mistakes with permanent repositories so you know where to look you'll find lots of blind aires and false turnings that we made lamented later. but i hope you don't look too closely and so it really really is causing a boat permanent database and permanent power of public to publish data and so would you say that matter data roots and support data becoming long lasting i mean you're talking about our send data and. it's meant that it would have to always the stadium i think that the right way we are first experiment was about eleven twelve years ago and we knew we had to put mattered a tree and we put more than we thought we needed but we my mistakes and we let ten years go by and then we can have decided to return to this method. i turned data and then we discovered the mistakes that we might but if we hadn't put metal day terrain at the start that we would never have been able to go back and cure rate on data that's the the term that i think is most important to curation means correcting errors bringing it up to date expressing. it in the modern form adopting new standards correcting all standards which means that you give the data another ten years or maybe a bit more of life. i use the circus metaphor you seen these circus artistes putting up putting up late on a pole and spending it and so you you hope that you give it enough spin that it will spin for about ten years but after about ten years you see it's about to fall down so you rush over and you you give it's a new method data roy repair. and give it some more energy and it goes on spinning and that's a bit like that and so i'm but the method data is a central part of that activity room we commence to arm set up star not swim at the data would would you be happy if that meant the data would be at all or yeah i guess that's going to tough one now as a long time. the project because we have to talk to the community. i asked a question in this symposium that we just attended what's a bond now most chemists think they know what a bond days and the chemist that thought they knew what a bond was created this thing called insured. but i like breaking bones because in my other profession on a computational chemists and i specialize in transition stateside i look at reactions and that involves breaking bones and so i started generating inches for transition states and of course that actually does make much sense but you then you realize that you don't really actually know. bond is and so we've got to try and get an agreement and chemists are going to have to agree on a bomb is going to have to agree and lots of other things and and chemists like cats it's very difficult from all about four chemists to agree upon anything. never mind of a the life scientists of the barges of something so now have a challenge but my objective if you like western to get something out there show them what it could do full of air as full of faults and imperfections and they will then say o'hagan to better this way and like that with a community it's a community effort it's an open. and community effort and that's the way it will grow but if you talk in the abstract and so you could do this hypothetically you might do that if we adopted standards that doesn't motivate me i can get that excited about someone and site hypothetically might work and be going to build real things real objects and then take a. but again that's the only way science works for you or so would you say that matter that i would contribute to a fan data yes yes and yes yes a metre tight. hope you do the f a fair f. is fine double so metadata makes day to find a bull arm it also contributes to accessible and although you can find that you don't still know quite where it is you need to know how to get it which bitter the database it is so successful improves upon final. interoperable tells you how the dieters expressed metadata or the media type will tell you what form the title takes and the met a diet are also give you a license it will tell you what kind of conditions you can use it in so every bit of fat is cover. by method title and if there was no better diet that item would be fast.