Open Source Antibiotics Series 2, 25 Jun 2021

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From YouTube: Open Source Antibiotics Science Update June 25th 2021

Description

Weekly open project meeting for Open Source Antibiotics Series 2.
Full Project: https://github.com/opensourceantibiotics/Series-2-Diarylimidazoles
Relevant GitHub Issue: https://github.com/opensourceantibiotics/Series-2-Diarylimidazoles/issues/79
On the call: Professor Matthew Todd, Dr Dana Klug, Dr Edwin Tse, Giada Sabatino (UCL), Dr Flavio Emery (University of Sao Paulo), Dr Lori Ferrins, Dr Quillon Simpson, Dr Jyoti Chauhan and Bruno Quiroga (NEU), Dr Chsir Swain (Cambridge MedChem Consulting), Anthony Sama (Citizen Scientist).

A

Dude, okay, welcome everyone to um osa friday june 25th um fairly on top of things this week, so we've got a decent uh decent agenda and action items so hopefully we'll be um we'll be reasonably fast today. um So last time we had um a good discussion about the most written recent potency data and those that are in that issue number 76.

A

They need to go on the wiki, unfortunately, so that's gotta somehow be pasted over there um and obviously the data have to go in the um master list as well um in advance of our you know, assembling the paper and so on.

A

um We we had a good discussion about things and I guess you know there were. There were no hugely surprising conclusions, maybe other than the ed series of benzomidazoles were all inactive, and so we don't need to be pursued much anymore, but the other compounds that are currently being made are all seem to make a lot of sense. To me, I updated the synthetic targets general scheme that dana's previously made back in march, um just to highlight that I think I think judd is about to tell us that she she's made progress here.

A

Five years on this homology series, the enamine amides have been purchased and the things I I wasn't able to update was the northeastern university um targets um and and dana you. You mentioned last time a couple of things, and maybe you could just update this when you got a second to to show you know the current list of targets. I guess you know for the coming couple weeks kind of thing. um On the northeastern side, though, we spoke last time about things that were being alkalated here.

A

I guess I just wanted to make sure that we were up to date with that, because I think that some, I think the r groups here we saw were going to be sort of tert-butyl and stuff like that, and um it would be really really good if the that team could update this. Also, I don't.

B

Know I I tagged you in this, but lori was talking to me yesterday about she has some compounds left over from another project that are similar in structure and could possibly you know how we basically developed a rule? Don't put anything on a bicyclic core, um there's a bunch of examples of that. So it could finalize that sar role, yeah that would be issue 78 one down yeah.

A

I just yeah. I know I just wanted to cover that synthetic chemistry talk just just for a second just to just ask people if they could update whether I'm I'm up to date here, because this again, you know, federer was talking about the home, the homology series recently, um and I just want to make sure we're up to date in terms of targets. That's all so if people did have a second just to update that, that would be really helpful.

C

Yeah, so from the the northeastern side of things um and bruno, I don't know if you want to talk about it, I'm happy to so. I.

D

Could talk about it if you want perfect.

C

D

Yeah so essentially um we're trying to switch the route because so far the accumulation has been either unsuccessful.

D

Due to uh you know the fact that the moiety that we're working with is a really sterically hindered um or the reaction you know- does proceed when we do it with a regular oculating agent and cesium carbonate.

D

But the problem is that we're not able to purify them from the byproducts properly, because the byproduct and the product itself they coelute at the same retention time. So that is our main problem right now and we're trying to solve it by looking at different different strategies.

D

So, for instance, right now we're trying to um see if we can just um alkylate the amine so, for example, using 4-fluoroaniline and we do reductive amination and we see if we can attach that alkyl group that we want and then we just uh couple it to the to the core via via buckhold reaction. So that's what we're currently testing I should have. Probably I could try to see if I have um like in my notes. I didn't actually create a presentation for this. That's.

A

D

A

Then it's it's. It's a useful update to know. I mean if you had a chance.

B

The apple arrow substituent and then take that new amine and then couple that to the rest of the molecule. Exactly.

D

Precisely so we would use uh you know we would just have the I I don't know the name of the heterocycle. It's like uh like imidazole. uh You know that that part right there with the with the pyridine so the lower part, so the the.

C

Imidazor pyridine.

D

Exactly with the with so, what we would do is we would take that with the other, with the attached pyridine already yeah, and we would we would brominate it that's what we're trying to see right now, so we we probably need to if we use mbs.

D

It should uh selectively target that that carbon, where the where the amine is at right now right and then we're trying to see if we couple it through a buckhold reaction to see if that would yield. You know some substantial products, and hopefully we wouldn't have to deal with uh the coalition that we're having right now, because that's a huge issue we've been able to synthesize the molecules. We're is not able to separate them. I.

B

Wonder if change they uh go from an alkyl halide to something a bigger group like a mesolith or something.

A

No, I think it's a good approach, because it's more uh it's more convergent, so you're going to be able to switch out the alcohol a little bit more easily and uh attach that on in the same way, to each target. That's good yeah could.

D

You repeat the suggestion with uh the mesolate: how.

B

I guess because I guess what you're colluding right would probably be like an iodine salt right.

D

B

No meso, it's a bigger.

C

Sorry um anthony it's it's when they're doing the alkylation reaction, they're getting um base and trace alkylated. Oh.

D

Yeah you got like three different basic amines in there, so we get literally yeah.

C

So I think, in short, we're still trying to troubleshoot the root um I think matt. To answer your question.

C

The r like the alkyl group that we're planning to use is that isobutyl group, which is the one that we talked about as being the most active, and so all of these will have that some of the chemistry that you would have seen previously with the t-butyl that was while bruno and gt were trying to like trouble again to just you know, get a feel for the chemistry, while with the reagents that we had on hand right, um but the the isobutyl halide has come in now.

C

So I would imagine that would kind of focus more on that now.

A

All right, perfect.

C

A

If you have, if you have a cam drawer or something or a picture of that root, um if you wanted to drag it onto the issue here, that would be really awesome just to keep us updated um or you can download this camera and edit. It.

C

I'll work with a new team together sure great all.

A

Right, fantastic, that's great! um Thank you! uh Giardia! You are you on the call. Did you want to say something about what you've been doing this week on on this chemistry, because you.

E

Yeah yeah, um if you want you, can share the screen.

A

Okay, all right, let me do that.

E

Screen yeah just one slide.

E

Can you see that in.

A

E

Second, no.

A

Normally, this is the moment where it pops up.

A

E

Can you is the slide now yeah.

A

E

Okay, uh so what I tried to do this week uh was, after a couple of.

E

uh After a couple of steps, I synthetize this, as I told you last time, then I did a suzuki reaction for obtaining the score and then.

E

um For changing this uh northwest northwest substituent, and so I'm I mean I'm still doing this reaction, um and if this worked, I got the first, uh the first molecule uh yeah and then I hopefully I will have enough amount of uh this product to produce other molecules.

E

Yeah like different and northwest.

A

Really good all right, fantastic and then the target aimings are the ones that I showed. I yeah think um these these ones yeah all right, great, wonderful, yep, all right, any um any other comments on synthetic chemistry anymore. Mr mink just wanted to make sure today.

F

um I guess just that, I'm also planning on alkylating some of these products up at the top, and I can post updated schemes after the meeting.

A

Okay, awesome yeah yeah, I posted the files. If people want to, you know, keep on editing them. That's fine.

B

Do you now want to proceed into the discussion me and laurie had about some compounds? She has.

A

All right, so these are existing compounds um which is very exciting, so yeah. Let me just bring that up here.

C

Yeah, so these.

B

C

That um actually made and uh colin has snuck into the meeting and one's actually a postdoc in the group, hello. How.

G

Are you hi also thanks for coming we're slowly taking over the plaster group.

A

Okay, um I detect an australian action. Do.

C

I, yes, you do. It's definitely stronger than mine.

A

Is it australian or new zealand, because I haven't just made that mistake publicly? Oh.

C

No definitely, australian, fine! Thank you! Goodness! That's close um okay, so quillin actually made these these compounds in support of our research efforts for um leash um and really what we're thinking about is is whether we send any or all of these, my my inclination is to send them all um you'll note that there are a couple of compounds within the foxes and nicole.

E

C

But you know I we've talked about this before, where we've only kind of only tested a couple of them and they've been tarnished by horror, poor outcomes. But I still wonder if we can kind of use this set to put the argument to.

B

Bed, well, I don't know, have we tested halides on the core uh looking at um 121 up there? That could be interesting.

C

Yeah, so we haven't actually tested the halides, but it's more than the is that um you know it's whether we have an interest in testing those.

B

Didn't our last compound of animal find out that putting a methoxy on the pyridine was okay, not on the bicycle.

C

Yeah we have a couple of data points with um the methoxy on the pyridine and I think matt actually posted something dismantling about that. There was a comparison image that I saw.

B

Me did I I. I think this is worth sending all of them just to put this point finally and get a saw rule out of it. What do you all think.

A

Nothing wrong with testing a theory again sure I mean if you have them and you're willing to send them, then that's absolutely great. You know really great.

G

Yeah, uh there's one I think it's 139 um that I actually may not have enough to send, but everything else I'm able to package up and send next week if you'd, like them, 139 looks like it has one on the bottom segment.

B

I mean it's not that big of a loss- I don't think one three, six one. Three, nine.

H

I noticed one of these has got a deuteromethyl. Was that made for metabolism reasons or something.

G

Yeah, it's just a tester's theory to see whether or not we could do isotopic labeling as a way to slow down the metabolism. Obviously, we need to use the end methyl. It increases the metabolism for these yeah because it could be interesting to see what it does.

B

B

Kinetic isotope effect, you know, because we do have a compound very similar to that. I believe.

A

That's very uh very interesting set. I think that would be very useful yeah I mean look if you're willing that that's fantastic. We can certainly get as a value yeah great all right.

C

Okay, I'll get them shipped out.

A

That's awesome. Okay, um let me just bring up first, so yeah. I didn't. I didn't uh include that in the esu, but I will I will uh add that in um there, so there was another point that came up last time um of the uh benzamidazoles going into the dndi assay. Now I'm assuming this is the potency assay and the question of whether or not we still want to do that.

A

I'm afraid I lost the threat here because we obviously saw no activity from these compounds against mercer, but there was some suggestion that we might want to send these off for a dna essay. Is that because they they resemble something that you were interested in lori. I forget what why this came up.

C

I equally forget why this came out: okay,.

A

Because it's these guys, um these guys, I don't know why we were specifically thinking about sending it off.

C

Oh yeah so go on dana.

F

Oh no go ahead. I was that's fine.

C

um So colin might be the better one to actually speak to this, because he's kind of been looking at all of the the so2 data for this series.

C

For sorry, let's say our nomenclature has been looking at all the data for this series in terms of leash and charges, um and we were actually interested in whether they might have some leisure charges activity. um We have some compounds where we've actually removed that um exocyclic nh. I understand it's a different scaffold that nitrogen's now moved across and everything, um but it might actually be easier or it might be worthwhile and interesting to get them tested.

H

I presume this would overbond listening in 989 and 990.

H

Should be a benzene ring.

A

Yeah yeah little effects. Yes,.

H

I think you should just test them wherever you can. You know if you've got the compounds, why not yeah yeah.

C

Let's, let's do a mutual exchange.

A

Yeah very happy to be right and I'm assuming you've got compound to spell yeah. I've got enough of all of them. Okay, great all right, so maybe offline.

A

uh How much and where to go that'll, be that's good, that'd, be great, okay, good stuff, um and then so. This rather brief thing about the the dndi assay that we were running on other compounds I is so, is that the data set that you sent during the week laurie.

A

Oh, I might give any cross cross wires here because I think you send us through um what do you send us through? Some add me, data.

C

Oh, that's, that's um not dndi! That's your master's! Anything.

A

Okay, fine, fine, fine! So there I I so we are still waiting for something else from the dndi. So.

C

The the dndi um there was a bit of a backlog at astrazeneca, um the dndi. Yes, um the leash assay itself usually takes about six weeks to give us um data that I will double check. What this status is on these compounds. Sometimes we don't. I have to actually pull it directly from dndi's database, so I I will do that I'll check today.

A

Okay, that's great! I just wanted to make sure I wasn't so I did get across y, which is fine. um That is from that. So that's a separate thing, so we just uh we just need to digest the data and then present them. We can talk about some other times. We've correlated the numbers with um with structures, because that's gonna be really important for us.

F

A

F

I've put the chem draw together. I just wanted to get the data also in the spreadsheet and I'll post, a new issue about that great.

A

Okay, fine, no, no worries at all. I think it's going to be important to digest that properly, so we can do that next time. um The cytotoxia is also coming through. So um alex has been working hard on that um she is generally seeing the same kind of toxicity she saw before, but she hasn't finished yet, um and I think that she's offering to come next time and talk about that uh dana- and I are gonna uh chat about that with her during the week.

A

So I think we'll have something next time for that which is good um on the synthetic chemistry side we just had the updates. I think flavor is not with us today, which is fine, um but I uh he gave an update last time. He was pursuing the homology series with extra ch2 linker, just said from gianna and dennis during the one parts, um and we just heard about the um the nae stuff commercial amides have been ordered um on the metabolite from haifa, the characterization data, and did you post the data somewhere already uh yeah?

A

It should all be uploaded okay, somewhere on github. Is that yeah, okay, fantastic? So it's ready to go into the paper. We've got everything there all right, fantastic and is there I didn't check, but is there a note on the wiki somewhere so that we can get rid of this thing here which don't lose anything?

A

uh I can add it yeah.

A

Okay, I mean just the fact that we got the structure and it's the same structure as the one that was predicted, but we have data for us, okay um and then I reached out again just today for two league ways, because we didn't get to reply to him, but I've invited him to the next meeting to see if he can come along and just double check with us about what's needed for the mechanism of action experiments um I'm going to shut up in a second, but there was one other thing I just wanted to mention, which is this thing um that I've been working on with mike robbins this planetary forged twitter bot thing.

A

So, the idea being that you have a robot that tweets out pictures of molecules for people to see and then, if you're scrolling through your twitter feed- and you see a molecule that looks like something you're working on- you can get in touch with someone um to to talk about the molecule and maybe put people in touch. So the idea is to have a um uh not not a wanted poster, but uh yeah. So um actually I can just bring it up completely.

A

So there's a little twitter bot, which is looking at the moment at a spreadsheet, um which is actually the osm spreadsheet, uh the master list and it pick randomly every day, just picks out a row and it takes the string and it renders the structure and it tweets out the structure as a picture and then with the strings. And the idea is um that you, I was hoping to get a an example of it. But the idea is, you know, you see the structure, think oh, that's interesting, and so on the tweet.

A

You have to have a link to where the viewer of the tweet can see more information right, so the source back to the source um and so for the twitter bot to do that, it needs the strings to render the structure um and to paste them in there, but it also needs a url, uh so we can paste that into the the tweet as well, so that the view of the tweak and then click on the url and be taken to a place where it is made obvious why that molecule is currently needed for a science project.

A

So um the reason so the way this would work- and this is meant to be a twitter bar that can help any open drug discovery project right. So anyone could then say well we're running a project and we've got a spreadsheet 100 molecules here. Can you make the robot?

A

You know scrape our our master list and of course the answer is yes, because it's a robot, no problem, but for this to work it needs to be a column of url, so so a place where it's made clear why this molecule is needed and how people can get involved with the team who need it um so for our master list, the osa master list. If we have everything we need apart from that column, that column of this is where you go for more information.

A

If you just have the spreadsheet, then the person would just go to the spreadsheet and they're not really any wiser. um But so, ideally, what you want is is a url there that actually takes them to you know an issue or a wiki or something that says: oh yeah, I see why the small heels need it. I can get involved with this project, so I just wanted to um raise this with people and and think a little bit about how we might be able to do that.

A

I mean obviously inserting a column and a spreadsheet is not no problem, but the urls that we put in there. It could be quite a lot of work to put in urls for every compound right because and some components are needed in multiple places.

A

So I'm just trying to think of what is the most useful thing to give people which doesn't involve a massive amount of work.

F

um But matt, if we're using the master spreadsheet, isn't that compounds that we've already made and tested, not ones that are needed.

A

Yeah, absolutely so I mean it could yes, absolutely I mean. The expectation, of course, is that they were all structurally related right um and we've always talked about putting compounds in to a spreadsheet that are being synthesized, of course, um but yeah absolutely there's a risk that you're you're putting in if your master list consists of like 100 molecules which have been made already and then like 10, which are being made. There's a there's, a risk that you're tweeting out things that have already been made.

A

Yeah um so you'd hope that it's it works because it's part of it part of an analogous series. So you know if one molecule has a fluorine on it, which has been made and you're making one with methoxy.

A

It doesn't really matter too much the exact nature of it. It just gives people a sense of what's needed.

F

Yeah, in that case, maybe a link to like the issues page for the project might be good, because that's kind of the most up-to-date discussion of what our goals are and sort of what we're trying to do and like hanging threads and things.

A

Even though yeah.

F

And you can just use the same url for all the series, two molecules, so just not a specific issue, but like just the landing page of all the issues that are open.

A

Yep I mean that would work that that or the or the wiki or something, but it just depends, doesn't it I I mean yeah. The list of issues is isn't bad.

H

So, do you want this to be compounds that we want, but haven't made or just an historical list of things that have been made.

A

So yeah I mean david raises a good point in your and you're asking the same thing. It's a it's a good point the and the idea is to try to get people to see you know the the structures and and think about the fact that they could get involved because they know the same chemistry I mean like. I said you know. If you see one of the series, four molecules or one of the rsa2 molecules, you don't really care about the exact substitution pattern.

A

What's more important is that you see the kind of general structure um of what's wanted.

H

Other projects I work on, we have a uh a list of ideas if you like, and you know, compounds which are under synthesis or or or would be nice to have.

A

Yeah that I mean that's the most useful. We don't clearly classify molecules like that right. We could, by using a certain bit of the master list.

H

A

Just have a separate sheet that makes me nervous.

H

Well, um the thing is that the the sheet of compounds that are under synthesis is quite ephemeral, because compounds get deleted from it and new ones get added to it. It doesn't have to be there in perpetuity.

A

It's another thing to update, but I know I know what you mean. This is nothing.

F

um The other thing we could do is the um we set up a while ago that google submission form for compound ideas and that outputs as a google sheet. So we could have it pull structures from there. That's true, but that's not I mean up to now. It's not been really heavily used and it's not the primary place where we are putting things that we want to make right.

A

H

I just worry that you know you you're, going to link it to a sheet with 800 molecules, most of which you may or are no longer interested in.

A

No, we we so no, I mean, I think, taking the person taking the viewer to the master list would be a mistake um and also linking to something where they can't immediately see why the molecules needed would also be annoying so we'd need to. You know it needs to be carefully managed.

A

um The the key is to point the bot at a list of molecules that are relevant. I mean.

H

A

um That, I guess that's that's the most important thing um it's possible to I mean so the simplest thing would be. If you well, not the simplest thing, a simple thing would be if you had the the mass list of all the compounds and then, as we suggested before, I think once or twice you have some rows there of molecules that are um needed or proposed and there's a column where there is.

A

There is a one or a zero or something there which highlights that those compounds are not yet made, um which is the same idea as another sheet. It's just you're, keeping it in one place um and- and you could have the bot just pick from that, so there they are the hypothetical compounds only that would be I'm sure that would be doable. It just does another check on one of the columns and and one of the nice things about.

A

That, of course, is that you then just have one sheet, but also you know when it's made, you just remove the tag um which then allows you to search on, I mean so. You can easily search and search the sheet and separate out the proposed from the knowns.

A

And then you've just got to manage whether you're also if it goes to if it goes to the issue list, I guess if, if it's proposed and doesn't exist, then sending someone to the list of issues which would be a static error which you could copy throughout would work right, because if it's, if it's a proposed or wanted molecule, then it's likely to appear fairly high up on the on the issue list.

A

So it wouldn't take long to find it. I guess what lori sorry. They know the uh the list of proposed molecules. That goes to a separate sheet at the moment, but it doesn't go to the master list right. So it goes through a separate sheet.

F

Yeah, it's just google um forms gives you the responses output as a google sheet, but it's not tied in any way to the osa master sheet yeah, because it's just just for proposed.

A

And we we I mean. The idea, then, is that every now and again you copy those over.

A

If you wanted to, if you, if you liked the molecule and you thought it should be made, then of course it becomes an official target and you can copy it over.

F

Yeah, if yeah, if that's how we wanted to use the master sheet, then yes right right, because yeah I mean until now it's just been once a compound is made. Then it gets added to the master sheet. Only we're not putting proposed or hypotheticals in there.

A

Yeah right, it's it's yeah, I mean part of this thing is to try and attract people and to make the molecules if they're needed and part of them, but part of the idea, is to get people to notice a general structure of the molecules and and think have. I got anything like that in my fridge, so um in in some cases it well no in in most med chem series, it doesn't matter too much what the exact structure is. um I mean you know the exact substitution pattern, as I was saying.

F

I guess you could also take them to the compound donation page, but that might be a bit premature, given that we assume all they know is the structure.

A

Right right, right um yeah, so I mean the the low tech solution here for osa would be to have a column which has just in the url section. It just has the url for the list of issues and then, if you wanted to refine this better, we could then start maybe including just the list of molecules that are currently targeted.

A

So, for example, in the most recent chem draw currently targets and um and have those somehow distinguished and and just select from those- and I think in our experience, installing targets is, um is something that people don't get around to. You know the hypotheticals of what's coming in. We don't have to do that.

A

um Just because it's another thing to manage chris, is in in your case. Is that automated? So if someone suggests a molecule, it goes in automatically into the into a sheet.

H

uh The the the big difference is that this is not an open thing, so the um registering an idea is actually important for ip. Oh right, okay, there's a big driver there right right.

A

Yep right, okay, yeah, all right, I it's an interesting one. I I don't know how how best to do that either to have. If I mean it, feels like the registration of ideas in the compound suggestion portal dana would be a good way of doing this. um I mean there's nothing to stop us internally from doing that. Right. Of course, you know if you've got a synthetic target. You just register by putting it into the compound suggestion page, um and then uh you could at that moment, put in a url.

A

Of course, that's relevant to it right I mean if we were gonna suggest you know the current synthetic targets from today. If we registered those with the url of this issue today, then then that keeps it really simple. The the ecu then is that um you have another sheet. That's all yeah.

F

I mean, I guess um final thoughts on this would be that a lot of the our proposed compounds are ones that we're already in the process of making or are closely related to chemistry that we're already doing um so. I don't know how much added value it is to then tweet that out and say. Can someone else make this when, like you know, I'm already sort of trying to make it, um but if they're just shown sort of some general structures, then that that I think that might be more beneficial.

F

For someone to say I that looks familiar, I have something similar, um but maybe slightly different to what some things that we're already thinking about anyway,.

A

um Yeah yeah, like I said it's not so much the exact molecule, it's more. The similarity.

F

In which case, then, just pulling from the master sheet as it is, would work.

A

Right all right, but I mean it's going to take a couple of iterations. I think let's so so. Mike's built the robot, um which is, which is good, he's very happy to tweak it. So, let's, um if someone in the master list could install a new column which is url and then just fill that with at the moment, the url for the list of issues.

A

Let's start with that,.

F

um I'm happy to do that. I one sorry. I have one more thought um which maybe is for people to think about later, but is it worth having it pull inactives, or can we filter it so it pulls actives only.

F

I don't know that we'd necessarily be interested interested in something that's similar to something. That's not active. I mean.

A

Again, the the I, the idea here is not necessarily for someone to see a molecule on a tweet and just not making it. The idea is that they would see the molecule quickly understand what the project is that wants the molecule and then reach out.

A

You know, I think we don't. We don't need to list targets so specifically because, as you said, you know at the moment all the targets have people assigned to them. So so I think it's more about connecting people rather than connecting a person with a with a molecule. If you see what I mean yeah.

F

Okay, cool. Thank you.

C

Sorry with that in mind, then, would it actually just be better to create an a small sar summary in, like a picture form and tweet that out there and be like if you've got stuff? That looks kind of like this, and you know maybe does or doesn't answer some of our pending sar questions?

C

Let us know, rather than tweeting a specific molecule and having to go through all of this. I can understand why you want to do that, but.

A

C

A

To think about the same goal, well, I'm trying to I mean I've got my eye on the scale up here, which is trying to try to encourage other open projects to to get involved here and and and allow them to also tweet out structures of molecules that they're interested in so in.

H

That case, wouldn't it be better if it was but from a separate spreadsheet, which they then could add to via the an equivalent to the compound submission thing. Basically, they can add compounds to it. It gets added to a spreadsheet and then automatically tweet it out. I.

A

I mean it would be I'd, rather, they just already had a sheet right and and we we just take that url of their sheet and then the bot knows to look at it. I mean they.

H

Have to modify.

A

H

Though, as well aren't they.

A

Well, just with the same with the same heading, so they have to have the string. All that matters is that is the title at the top of the column, because the bot sees that so they would just have to have the same.

A

I think it's the three things it's like smiles, inchi or whatever it is, and then um and then url, and if they have that, then the block can understand it and we can point the bot at it. So it's how much work for them if they have the spreadsheet, if they have the spreadsheet. Yes, that's right, so they have. They have to just give us the where that is, but.

H

Now, if, if we have, if they use the compound submission, they don't have to do anything other than submit a compound.

A

Yeah sure that's true, um but yeah, that's true, um because I'm just trying to encourage people to you know be independent um to have their own thing without any extra work other than putting in a column for url and allowing the bot. So it's more distributed.

A

um I mean so I mean pointing people at an sar diagram uh or an information about the series is, is going to be very important um and we have that on the wiki right. We have all the seo listed. So that's another place where people can be pointed to for sure um or or they're just taken to the home page for the series on github, so the very first page of osa ii, and then we make sure that if people arrive at that page, it's made clear that the sar is here.

A

If you want to talk to us, we are with these people, and- and this is how you can get involved. So it's just I'm trying to think of the best way of bringing people to us that way, a structure that is representative taken from a sheet taking that person to a page where they would be able to reach out to us if they can help. That's the aim, um so I don't the the issue.

A

The issue list is a good one because it's kind of more up-to-date, but ultimately you want to make sure that when they come they can see or how do I reach out to someone here? Who is this project? You know um that that could be a pinned, a pinned issue. So maybe that's not such an issue. Let's take them to the list of issues we can pin anissey saying get in touch with us or something that's a way of doing it.

A

um I mean I remember this from from way back, you know we. We were working on some molecules in osm series, three they're, almost identical to some molecules being made by the structure of genomics consortium and- um and I just happened to be browsing- you know and there they were- and I thought I didn't know you know this existed and so you reach out- and you share molecules- I mean it's, um that's really what it is.

A

It's it's a it's a it's a prototype version of this cinder robot that we proposed years ago, but using twitter and relying on the fact that patent recognition by humans is actually really quite powerful. um Particularly, you know chemists looking at structures we're really fast at noticing things that were familiar to us.

A

um But this, but so anyway, but this is iterative, so you know if we get things wrong, it doesn't work. Then we can change. Anything for sure, um and- and you know you learn by doing and mike is- is an absolute wizard of this kind of stuff and he's very happy to help which has been amazing. So, let's start with the with one thing, which is to try and install a column in the sheet and then and then let's see how it goes and very happy to improve or change it.

A

I'd also like to try and encourage another team to get involved here so that we can then use the same infrastructure to help them, um but I just wanted to get this working first so that the tweets are right.

A

The rendering of the pictures doesn't work very well on the webpage. It's really funny, and mike knows why this is he says technically gifted guy. He knows why the pictures look like this and and they're apparently on phones, all the pictures look perfect, but, ironically, on a web page, the pictures look like that they're kind of cut off in an awkward way, um because the same algorithm doesn't work on a web page. I don't know he explained to me, but I don't really understand what it is.

A

But anyway, when you look at it on a phone, the pictures come up perfectly. So you can see the whole molecule.

A

The things you learn.

A

um Yeah, it's it's a it's a it's a fun one, so yeah we're starting starting small and slow, but we'll, I think, we'll build something that might be useful here um all right. So thanks dana for doing that. Let's, let's see how it goes and and and what happens all right? um Well, okay, that's everything I had! So that's that's all of it. um If the if the uh northeastern team were happy to get github accounts, I can I can tag people here um if they have to do that. No pressure.

A

All right, anyone else want to raise anything or if we forgot.

A

Anything yeah all right, okay, great! Well, thanks very much for your time. Everyone just.

B

Updated the meeting issue for those neu compound shipment- oh great, thank you anyway. Yeah great.

A

All right, thanks, all okay, see you next week, see you next time.