Rich Apodaca

Science, software, and startups.

[Rich Apodaca @rapodaca]

Time to retire this account. It will stay up but I won't post and probably won't check it, either.

I'll be hanging out at @[email protected] for now instead. The posts at https://t.co/1K8TU1gzx4 will continue.

[Rich Apodaca @rapodaca]

@andrewwhite01 @SuperScienceGrl In terms of expense, working on the wrong target. Zero effect, AFAICT.

[Rich Apodaca @rapodaca]

IMO, goal should be to ↓ bad interpretations, not "bad data." Readers should expect authors to provide the data needed to do that. How much & what kind depends on situation.

Bigger problem is how hard it is to turn this into editorial policy.

[Corin Wagen @CorinWagen]

Something I've wanted to write for a while—my argument for why journals shouldn't require 13C NMR for publication. (This post was inspired by the many long hours I've spent collecting 13C NMR spectra.) Hear me out!

https://t.co/nJGmjmIFB2

[Rich Apodaca @rapodaca]

Has anyone actually tried this?

[Allen Holub. https://linkedIn.com/in/allenholub @allenholub]

You say you have an enormous backlog? There's a great way to manage that. Just throw the whole thing out. It's liberating! If it's important, it will come back. 1/2

[Rich Apodaca @rapodaca]

Any time it involves tautomers, you're in for a ride.

[Rich Apodaca @rapodaca]

What do you do when doing something is worse than doing nothing? https://t.co/gOrFk7fJS0

[Rich Apodaca @rapodaca]

When it comes to organic synthesis, ChatGPT may be kind of book smart, but it's not very street smart.

[Rich Apodaca @rapodaca]

🤣

My tinkering so far reveals that ChatGPT readily recognizes SMILES, always confidently decodes them, doesn't appear to be doing simple string matching, and has a ~50:50 average for simple cases.

I'm still blown away that this is a thing.

[Rich Apodaca @rapodaca]

Here it confuses Oc1ccccc1 with benzene in the text, then proceeds to include the oxygen atom in the molfile, modulo one carbon, but with a complete connection table for the underlying graph, modulo one carbon, but with correct placement for oxygen.

[Rich Apodaca @rapodaca]

🤔

[Rich Apodaca @rapodaca]

@cthoyt No, but I've poked around at it. It's interesting, but there's also a lot of centralization potential there that isn't recognized now because users are scarce. I'm not sure many people realize this.

[Rich Apodaca @rapodaca]

@Dereklowe @OrdoSeclorum 1. No RSS auto-discover link (could trip up some readers)
2. Footer links to a page which links to https://t.co/N0coRJSatQ .
3. My reader (RssBook) sorts feed in _ascending_ chron. order (other feeds are reverse).
4. Feed title ("AAAS: Keyword...") is confusing.

[Rich Apodaca @rapodaca]

I admit I laughed.

[Sigma-Aldrich @SigmaAldrich]

You've heard of Elf on a Shelf, now get ready for:

[Rich Apodaca @rapodaca]

Canonicalization is one of those topics that always seemed like black magic to me. Here's an attempt to demystify. 🦀 #rustlang #cheminformatics https://t.co/uzGbIO8QQe

[Rich Apodaca @rapodaca]

Endgame: robotic journals vacuum up the best papers from preprint servers, running circles around human editorial boards and reviewers for quality control, fraud detection, and relevance filtering.

[Rich Apodaca @rapodaca]

@clemensisert Exactly the kind of paper I was looking for - thanks!

[Rich Apodaca @rapodaca]

How do machine learning studies account for tautomerism? Not predicting the most stable tautomer and the like, but rather signaling that a molecular comes in tautomeric forms, and where?

[Rich Apodaca @rapodaca]

@markussitzmann @rguha @kjelljorner Have you seen anyone do this before (or even discuss)?

[Rich Apodaca @rapodaca]

Raising the question... what's the difference?

[Paul Graham @paulg]

For me one of the biggest surprises about current generative AI research is that it yields artificial pseudo-intellectuals: programs that, given sufficient examples to copy, can do a plausible imitation of talking about something they understand.