RXN for Chemistry

Account for news and general info on the freely available AI platform made by #compchem chemists for #organic chemists. Try it today. 👩‍🔬👨‍🔬⚗️🧪

[RXN for Chemistry @ForRxn]

We’ve been quiet for some time...

Now we’re back!

We just rolled out new features on:
https://t.co/RmWxhV4TUw

- An Improved Biocatalysis Model
- Upload from Files
- Links to Patents
- Search Similar Reactions
- Custom Retro Edits

Thread 🧵👇

[RXN for Chemistry @ForRxn]

Our latest work in @ACSCentSci on steering retrosynthesis predictions using #NLP has been highlighted by @OPRD_ACS

We empower chemists by enabling them to select disconections, leading to more diverse outputs.

Try the automated retrosynthesis function👇
https://t.co/RmWxhUNj2Y

[Amol Thakkar @av_thakkar]

Great to see our work @IBMResearch on prompt driven retrosynthesis in @ACSCentSci highlighted by @OPRD_ACS alongside several former colleagues and collaborators!

🌟Highlight: https://t.co/9OZpIPdyQR

📰Paper: https://t.co/ZzDE3CGiOF

#NLP #MachineLearning #Chemistry #AI

[Amol Thakkar @av_thakkar]

We published "Unbiasing Retrosynthesis Language Models with Disconnection Prompts" in @ACSCentSci

paper: https://t.co/ZzDE3CGiOF

code: https://t.co/rTiX04wHdY

Let's dive in!

#compchem #MachineLearning #Chemistry #chemtwitter

@ForRxn

[Alain Vaucher @acvaucher]

I'll be there in person with @anuvco and @MirunaCretu2. Feel free to reach out if you'd like to chat! (3/3)

[Alain Vaucher @acvaucher]

The talks will be presented by myself, @YvesGNT, @drugilsberg, @anuvco, @MirunaCretu2, @av_thakkar, @FedericoZipoli, and @AleksandrosSob1 (2/3).

[Alain Vaucher @acvaucher]

If you're at #ACSSpring2023 next week, consider attending some of the talks from our team!

We will be presenting some of the work done at IBM Research Europe in the space of AI and chemistry.

Here are the talk details: https://t.co/QOjanvsdLI (1/3)

[Alessandra Toniato @AlessToniato]

Our preprint on retrosynthesis models with boosted diversity is out!

preprint: https://t.co/osM5Q3EtDO

Check out the code at: https://t.co/kDd7v1nNIo . Open-source models are also available! 🙌

@acvaucher @pschwllr @teodorolaino #compchem #MachineLearning #Chemistry
@ForRxn

[Amol Thakkar @av_thakkar]

This week we released

"Unbiasing Retrosynthesis Language Models with Disconnection Prompts"

pre-print:
https://t.co/HGx8cerYIL

code:
https://t.co/rTiX04wHdY

Let's dive in!

Thread 🧵

#compchem #MachineLearning #Chemistry #chemtwitter @ForRxn

[Teodoro Laino @teodorolaino]

The @SwissChemistry Science Night was stunning. @IBMResearch was awarded with the Sandmeyer Prize for the multi-years efforts in digitalizing chemistry.

It took sweat, determination and hard work: kudos to all of you friends. I am privileged to work with you.

Who’s who ? 1/2

[Karl Gademann @KarlGademann]

And congrats to the @IBMResearch team for winning the Sandmeyer prize @SwissChemistry @pschwllr @teodorolaino @acvaucher @skepteis and colleagues. You rock! @ForRxn

[Teodoro Laino @teodorolaino]

On 08.24 at 10:20, our own Alain Vaucher (@acvaucher) will present "Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry" in collaboration with @thiemechemistry @SOSChem 7/8

[Teodoro Laino @teodorolaino]

On 08.24 at 09:40 CDT, Jannis Born (@JannisBorn) will present "Guiding multistep retrosynthesis planning with continuous pathway representations". @FedericoZipoli and Jannis did a THING: a string method for chemical reactions to create human grade retrosynthesis. Bar rises. 6/8

[Teodoro Laino @teodorolaino]

On 08.24 at 08:25 CDT, Amol Thakkar (@av_thakkar) will present "Augmented disconnection aware retrosynthesis to facilitate user interaction". Don't miss this talk, if you are curious to see the latest performance improvements in retrosynthesis in @ForRxn. 5/8

[RXN for Chemistry @ForRxn]

Huge thanks to the team for putting this thread and the features together!

@teodorolaino @drugilsberg @acvaucher @av_thakkar @Yves_Gaetan_ @MirunaCretu2 @anuvco

Exciting new features still to come! Let us know what you think 🙂

[RXN for Chemistry @ForRxn]

We’ve been quiet for some time...

Now we’re back!

We just rolled out new features on:
https://t.co/RmWxhV4TUw

- An Improved Biocatalysis Model
- Upload from Files
- Links to Patents
- Search Similar Reactions
- Custom Retro Edits

Thread 🧵👇

[RXN for Chemistry @ForRxn]

Try all our features on:

https://t.co/RmWxhUNj2Y

Stay tuned for more updates heading your way!