#iccs2025 — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #iccs2025, aggregated by home.social.
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the third paper in the #iccs2025 collection is out: https://doi.org/10.1186/s13321-026-01203-8
"GRIPHIN: grids of pharmacophore interaction fields for affinity prediction"
"We investigate whether a purely pharmacophoric representation of the protein pocket is sufficient to train a deep learning model for affinity prediction. For this purpose, we devise a hybrid model architecture from simple building blocks for affinity prediction."
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the third paper in the #iccs2025 collection is out: https://doi.org/10.1186/s13321-026-01203-8
"GRIPHIN: grids of pharmacophore interaction fields for affinity prediction"
"We investigate whether a purely pharmacophoric representation of the protein pocket is sufficient to train a deep learning model for affinity prediction. For this purpose, we devise a hybrid model architecture from simple building blocks for affinity prediction."
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the third paper in the #iccs2025 collection is out: https://doi.org/10.1186/s13321-026-01203-8
"GRIPHIN: grids of pharmacophore interaction fields for affinity prediction"
"We investigate whether a purely pharmacophoric representation of the protein pocket is sufficient to train a deep learning model for affinity prediction. For this purpose, we devise a hybrid model architecture from simple building blocks for affinity prediction."
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the third paper in the #iccs2025 collection is out: https://doi.org/10.1186/s13321-026-01203-8
"GRIPHIN: grids of pharmacophore interaction fields for affinity prediction"
"We investigate whether a purely pharmacophoric representation of the protein pocket is sufficient to train a deep learning model for affinity prediction. For this purpose, we devise a hybrid model architecture from simple building blocks for affinity prediction."
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the third paper in the #iccs2025 collection is out: https://doi.org/10.1186/s13321-026-01203-8
"GRIPHIN: grids of pharmacophore interaction fields for affinity prediction"
"We investigate whether a purely pharmacophoric representation of the protein pocket is sufficient to train a deep learning model for affinity prediction. For this purpose, we devise a hybrid model architecture from simple building blocks for affinity prediction."
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the second paper in the #iccs2025 collection is also out! https://doi.org/10.1186/s13321-026-01175-9
"ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models"
"ProQSAR composes interchangeable modules for standardization, feature generation, splitting (including scaffold- and cluster-aware splits), preprocessing, outlier handling, scaling, feature selection, model training and tuning, statistical comparison, conformal calibration, and AD assessment."
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the second paper in the #iccs2025 collection is also out! https://doi.org/10.1186/s13321-026-01175-9
"ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models"
"ProQSAR composes interchangeable modules for standardization, feature generation, splitting (including scaffold- and cluster-aware splits), preprocessing, outlier handling, scaling, feature selection, model training and tuning, statistical comparison, conformal calibration, and AD assessment."
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the second paper in the #iccs2025 collection is also out! https://doi.org/10.1186/s13321-026-01175-9
"ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models"
"ProQSAR composes interchangeable modules for standardization, feature generation, splitting (including scaffold- and cluster-aware splits), preprocessing, outlier handling, scaling, feature selection, model training and tuning, statistical comparison, conformal calibration, and AD assessment."
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the second paper in the #iccs2025 collection is also out! https://doi.org/10.1186/s13321-026-01175-9
"ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models"
"ProQSAR composes interchangeable modules for standardization, feature generation, splitting (including scaffold- and cluster-aware splits), preprocessing, outlier handling, scaling, feature selection, model training and tuning, statistical comparison, conformal calibration, and AD assessment."
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the second paper in the #iccs2025 collection is also out! https://doi.org/10.1186/s13321-026-01175-9
"ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models"
"ProQSAR composes interchangeable modules for standardization, feature generation, splitting (including scaffold- and cluster-aware splits), preprocessing, outlier handling, scaling, feature selection, model training and tuning, statistical comparison, conformal calibration, and AD assessment."
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the first paper in the #iccs2025 collection in the Journal of Cheminformatics is now out!
"ANNalog: generation of MedChem-similar molecules" https://doi.org/10.1186/s13321-026-01186-6
"ANNalog has the ability to produce structurally similar analogues involving minor modifications, such as substituent replacements, as well as the ability to perform scaffold hopping, generating structurally distinct yet chemically relevant analogues."
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the first paper in the #iccs2025 collection in the Journal of Cheminformatics is now out!
"ANNalog: generation of MedChem-similar molecules" https://doi.org/10.1186/s13321-026-01186-6
"ANNalog has the ability to produce structurally similar analogues involving minor modifications, such as substituent replacements, as well as the ability to perform scaffold hopping, generating structurally distinct yet chemically relevant analogues."
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the first paper in the #iccs2025 collection in the Journal of Cheminformatics is now out!
"ANNalog: generation of MedChem-similar molecules" https://doi.org/10.1186/s13321-026-01186-6
"ANNalog has the ability to produce structurally similar analogues involving minor modifications, such as substituent replacements, as well as the ability to perform scaffold hopping, generating structurally distinct yet chemically relevant analogues."
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the first paper in the #iccs2025 collection in the Journal of Cheminformatics is now out!
"ANNalog: generation of MedChem-similar molecules" https://doi.org/10.1186/s13321-026-01186-6
"ANNalog has the ability to produce structurally similar analogues involving minor modifications, such as substituent replacements, as well as the ability to perform scaffold hopping, generating structurally distinct yet chemically relevant analogues."
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the first paper in the #iccs2025 collection in the Journal of Cheminformatics is now out!
"ANNalog: generation of MedChem-similar molecules" https://doi.org/10.1186/s13321-026-01186-6
"ANNalog has the ability to produce structurally similar analogues involving minor modifications, such as substituent replacements, as well as the ability to perform scaffold hopping, generating structurally distinct yet chemically relevant analogues."
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we're eagerly waiting for the first 3 papers in the #iccs2025 collection in the Journal of Cheminformatics to appear online!
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we're eagerly waiting for the first 3 papers in the #iccs2025 collection in the Journal of Cheminformatics to appear online!
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Two papers for the ICCS Collection in the Journal of Cheminformatics have been tagged as accepted now. With another 4 under review, and at least one more paper to be submitted. The deadline was extended one last time.
But we are looking forward to a nice collection of work presented at the ICCS 2025!
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Two papers for the ICCS Collection in the Journal of Cheminformatics have been tagged as accepted now. With another 4 under review, and at least one more paper to be submitted. The deadline was extended one last time.
But we are looking forward to a nice collection of work presented at the ICCS 2025!
-
Two papers for the ICCS Collection in the Journal of Cheminformatics have been tagged as accepted now. With another 4 under review, and at least one more paper to be submitted. The deadline was extended one last time.
But we are looking forward to a nice collection of work presented at the ICCS 2025!
-
Two papers for the ICCS Collection in the Journal of Cheminformatics have been tagged as accepted now. With another 4 under review, and at least one more paper to be submitted. The deadline was extended one last time.
But we are looking forward to a nice collection of work presented at the ICCS 2025!
-
Two papers for the ICCS Collection in the Journal of Cheminformatics have been tagged as accepted now. With another 4 under review, and at least one more paper to be submitted. The deadline was extended one last time.
But we are looking forward to a nice collection of work presented at the ICCS 2025!
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The submission deadline for the ICCS Collection in the Journal of Cheminformatics will be extended to March 1. We currently have four papers under review and expect at 2 more submissions.
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The submission deadline for the ICCS Collection in the Journal of Cheminformatics will be extended to March 1. We currently have four papers under review and expect at 2 more submissions.
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The submission deadline for the ICCS Collection in the Journal of Cheminformatics will be extended to March 1. We currently have four papers under review and expect at 2 more submissions.
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The submission deadline for the ICCS Collection in the Journal of Cheminformatics will be extended to March 1. We currently have four papers under review and expect at 2 more submissions.
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six #ICCS2025 posters can now be download from our website at https://iccs-nl.org/posters/
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six #ICCS2025 posters can now be download from our website at https://iccs-nl.org/posters/
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six #ICCS2025 posters can now be download from our website at https://iccs-nl.org/posters/
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six #ICCS2025 posters can now be download from our website at https://iccs-nl.org/posters/
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scientific discussion moved from "letters to the editor" to PubPeer. There is a lot to be said about that, but one thing that must be said is that PubPeer can disappear.
But Letters to the Editor are preserved, for better or worse. if not mistaken, it was @dalke that pointed me at #ICCS2025 to a 1977-1978 discussion via such letters. I looked them up, and annotated some of the citations with the Citation Typing Ontology, made @nanopub and put them in @wikidata
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scientific discussion moved from "letters to the editor" to PubPeer. There is a lot to be said about that, but one thing that must be said is that PubPeer can disappear.
But Letters to the Editor are preserved, for better or worse. if not mistaken, it was @dalke that pointed me at #ICCS2025 to a 1977-1978 discussion via such letters. I looked them up, and annotated some of the citations with the Citation Typing Ontology, made @nanopub and put them in @wikidata
-
scientific discussion moved from "letters to the editor" to PubPeer. There is a lot to be said about that, but one thing that must be said is that PubPeer can disappear.
But Letters to the Editor are preserved, for better or worse. if not mistaken, it was @dalke that pointed me at #ICCS2025 to a 1977-1978 discussion via such letters. I looked them up, and annotated some of the citations with the Citation Typing Ontology, made @nanopub and put them in @wikidata
-
scientific discussion moved from "letters to the editor" to PubPeer. There is a lot to be said about that, but one thing that must be said is that PubPeer can disappear.
But Letters to the Editor are preserved, for better or worse. if not mistaken, it was @dalke that pointed me at #ICCS2025 to a 1977-1978 discussion via such letters. I looked them up, and annotated some of the citations with the Citation Typing Ontology, made @nanopub and put them in @wikidata
-
scientific discussion moved from "letters to the editor" to PubPeer. There is a lot to be said about that, but one thing that must be said is that PubPeer can disappear.
But Letters to the Editor are preserved, for better or worse. if not mistaken, it was @dalke that pointed me at #ICCS2025 to a 1977-1978 discussion via such letters. I looked them up, and annotated some of the citations with the Citation Typing Ontology, made @nanopub and put them in @wikidata
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I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html
replies to this post become blog comments.
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I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html
replies to this post become blog comments.
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I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html
replies to this post become blog comments.
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I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html
replies to this post become blog comments.
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I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html
replies to this post become blog comments.
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if you missed the #ICCS2025, you can catch up with the slidedeck and poster PDFs that presenters have made available online, and counting:
- 1 presentation: https://iccs-nl.org/general-information/scientific-program/
- 4 posters: https://iccs-nl.org/posters/ -
if you missed the #ICCS2025, you can catch up with the slidedeck and poster PDFs that presenters have made available online, and counting:
- 1 presentation: https://iccs-nl.org/general-information/scientific-program/
- 4 posters: https://iccs-nl.org/posters/ -
if you missed the #ICCS2025, you can catch up with the slidedeck and poster PDFs that presenters have made available online, and counting:
- 1 presentation: https://iccs-nl.org/general-information/scientific-program/
- 4 posters: https://iccs-nl.org/posters/ -
if you missed the #ICCS2025, you can catch up with the slidedeck and poster PDFs that presenters have made available online, and counting:
- 1 presentation: https://iccs-nl.org/general-information/scientific-program/
- 4 posters: https://iccs-nl.org/posters/ -
and there we are! the final #ICCS2025 talk!
Philipp Janssen (https://orcid.org/0000-0003-3223-9182) of University of Münster is answering in his talk "How unsociable is the fragment space, and can we do better?"
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and there we are! the final #ICCS2025 talk!
Philipp Janssen (https://orcid.org/0000-0003-3223-9182) of University of Münster is answering in his talk "How unsociable is the fragment space, and can we do better?"
-
and there we are! the final #ICCS2025 talk!
Philipp Janssen (https://orcid.org/0000-0003-3223-9182) of University of Münster is answering in his talk "How unsociable is the fragment space, and can we do better?"