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#cheminformatics search results

alvascience's profile picture. Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Alvascience
 @alvascience
1 h

AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics

alvascience's tweet image. AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics
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GloriusGroup's profile picture. Team of highly motivated 😍 young chemists👩‍🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future.🌍
Glorius Group
 @GloriusGroup
Mar 13

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩 #Cheminformatics #DataScience #Chemistry

GloriusGroup's tweet image. Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩 #Cheminformatics #DataScience #Chemistry
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 9

⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign

BioChemCalc's tweet image. ⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign
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gklambauer's profile picture. Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
Günter Klambauer
 @gklambauer
Sep 1, 2023

Predicting molecular activity with XGBoost. 📊🧪 Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML Paper: link.springer.com/article/10.118…

gklambauer's tweet image. Predicting molecular activity with XGBoost. 📊🧪 Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML Paper: link.springer.com/article/10.118…
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iwatobipen's profile picture. Medicinal Chemist? Interested in Chemoinformatics, Running. Opinions and tweets are my own. @iwatobipen.bsky.soscial
pen(Taka)
 @iwatobipen
Nov 2

Run MD simulation with Openff&Openmm on pixi's env #cheminformatics #RDKit #pixi #memo iwatobipen.wordpress.com/2025/11/02/run…

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NouranFara44118's profile picture. #Phd_MEXT Scholar @WPI_IIIS @UNIV_TSUKUBA #Neuroscience_Sleep_Medicine #Pharmacogenomics #Science_Communicator 🇿🇦 🇨🇭 🇯🇵 🇩🇪 🇮🇹 🇸🇦 🇫🇷
Nouran Farag
 @NouranFara44118
Sep 10, 2023

Super Excited to present my poster"E34" today for #IBRO2023 @IBROorg in GRANADA💫 if you are interested in #OMICS & #Cheminformatics approach, come and visit my poster!

NouranFara44118's tweet image. Super Excited to present my poster"E34" today for #IBRO2023 @IBROorg in GRANADA💫 if you are interested in #OMICS & #Cheminformatics approach, come and visit my poster!
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nmsoftware's profile picture. Innovative software for difficult problems: chemical text-mining, ELN analysis, reaction naming, biological structure perception, and more!
NextMove Software
 @nmsoftware
Aug 13, 2023

Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld nextmovesoftware.com/talks/Mayfield…

nmsoftware's tweet image. Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld nextmovesoftware.com/talks/Mayfield…
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peter_ertl's profile picture. Leading Scientist at Novartis - #cheminformatics #CompChem #MedChem #birding
Peter Ertl
 @peter_ertl
Jun 27, 2023

Our @JMedChem TPSA paper pubs.acs.org/doi/full/10.10… reached 3000 citations today! Something not expected at the time of writing. Advice to young scientists: make your papers useful, open and release all data (and you will still need a little bit of luck😀) #cheminformatics #medchem

peter_ertl's tweet image. Our @JMedChem TPSA paper pubs.acs.org/doi/full/10.10… reached 3000 citations today! Something not expected at the time of writing. Advice to young scientists: make your papers useful, open and release all data (and you will still need a little bit of luck😀) #cheminformatics #medchem
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sofiak1r's profile picture. Computational Chemist 👩‍💻 Catalysis, DFT, MD | @MSCActions Fellow at @NovaMechanics 🇨🇾 https://t.co/Z6FdSr6wjH #compchem
Sofia Kiriakidi
 @sofiak1r
Jun 20, 2024

Three days full of new cool stuff and an amazing group of people! Thanks to all the organisers of the #CAML24 for such a well-organised and informative workshop on #MachineLearning and #cheminformatics.

sofiak1r's tweet image. Three days full of new cool stuff and an amazing group of people! Thanks to all the organisers of the #CAML24 for such a well-organised and informative workshop on #MachineLearning and #cheminformatics.
sofiak1r's tweet image. Three days full of new cool stuff and an amazing group of people! Thanks to all the organisers of the #CAML24 for such a well-organised and informative workshop on #MachineLearning and #cheminformatics.
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jjjvanderhooft's profile picture. Assistant Professor in Computational Metabolomics @vdHooft_CompMet @WU_BioInfo @WURplant @WUR! 😎 | @wyoungacademy | #OpenScience! | Visiting Professor @go2uj
Justin van der Hooft
 @jjjvanderhooft
Feb 6, 2024

"How do we think about molecules?" Barbara Terlouw and David Meijer are teaching #Cheminformatics during the @MAGicMOLFUN #workshop #spring #school #Wageningen @WUR 😎 #retrosynthesis #SMILES #SMARTS and do you spot the #CineMol drawing? 😁

jjjvanderhooft's tweet image. "How do we think about molecules?" Barbara Terlouw and David Meijer are teaching #Cheminformatics during the @MAGicMOLFUN #workshop #spring #school #Wageningen @WUR 😎 #retrosynthesis #SMILES #SMARTS and do you spot the #CineMol drawing? 😁
jjjvanderhooft's tweet image. "How do we think about molecules?" Barbara Terlouw and David Meijer are teaching #Cheminformatics during the @MAGicMOLFUN #workshop #spring #school #Wageningen @WUR 😎 #retrosynthesis #SMILES #SMARTS and do you spot the #CineMol drawing? 😁
jjjvanderhooft's tweet image. "How do we think about molecules?" Barbara Terlouw and David Meijer are teaching #Cheminformatics during the @MAGicMOLFUN #workshop #spring #school #Wageningen @WUR 😎 #retrosynthesis #SMILES #SMARTS and do you spot the #CineMol drawing? 😁
jjjvanderhooft's tweet image. "How do we think about molecules?" Barbara Terlouw and David Meijer are teaching #Cheminformatics during the @MAGicMOLFUN #workshop #spring #school #Wageningen @WUR 😎 #retrosynthesis #SMILES #SMARTS and do you spot the #CineMol drawing? 😁
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_atanas_'s profile picture. Lead Editor: #CRBIOTECH & #ExplorDHT | PI: PaDiH & LBI-DHPS | Prof of IGAB-PAS | Leader: #DHPSP & #INPST | Expert Consultant in Biotech & Science Communication
Atanas G. Atanasov
@_atanas_
Apr 29

📌 POSTDOC/PERMANENT POSITIONS IN MEDICINAL CHEMISTRY AT THE BULGARIAN ACADEMY OF SCIENCES 🧪🖥️ 🔗digitalpatientsafety.com/postdoc-perman… 🌐 #DHPSP #INPST #Cheminformatics

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gklambauer's profile picture. Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
Günter Klambauer
 @gklambauer
Aug 15, 2023

PREFER, a Python-based framework powered by AutoSklearn, assists molecular property prediction. Effortlessly compare diverse representations and ML models for accelerated discovery. Open-source on GitHub. 🧪🔬 #Cheminformatics #ML Details: pubs.acs.org/doi/full/10.10…

gklambauer's tweet card. Machine-learning and deep-learning models have been extensively used in cheminformatics to predict molecular properties, to reduce the need for direct measurements, and to accelerate compound...
PREFER: A New Predictive Modeling Framework for Molecular Discovery
Source: pubs.acs.org
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ChristmannGroup's profile picture. Chemist @FU_Berlin. Works on #NaturalProducts & #Catalysis
Mathias Christmann
 @ChristmannGroup
Dec 5, 2023

I have a question to the #ChemInformatics or #DataScience in #Chemistry folks: is there a downloadable library/database that can be used generate SMILES from chemicals or common reagents? Everything that I have found requires a web interface, e.g. PubChem or NIH/NCI #ChemTwitter

ChristmannGroup's tweet image. I have a question to the #ChemInformatics or #DataScience in #Chemistry folks: is there a downloadable library/database that can be used generate SMILES from chemicals or common reagents? Everything that I have found requires a web interface, e.g. PubChem or NIH/NCI #ChemTwitter
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mtwolfinger's profile picture. RNAForecast CEO | PI | RNA enthusiast with a passion for structure, dynamics, viruses, and evolution 🧬🦠
Michael T Wolfinger
 @mtwolfinger
Feb 12, 2024

Heading off to the enchanting Bled, Slovenia, for the 39th TBI Winterseminar! Can't wait to dive into a world of intriguing #computationalbiology & #cheminformatics talks & cherish the moments with old friends while welcoming new ones 💛 #lovescience #bioinformatics #ViennaRNA

mtwolfinger's tweet image. Heading off to the enchanting Bled, Slovenia, for the 39th TBI Winterseminar! Can't wait to dive into a world of intriguing #computationalbiology & #cheminformatics talks & cherish the moments with old friends while welcoming new ones 💛 #lovescience #bioinformatics #ViennaRNA
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LivUniISMIB's profile picture. We're no longer posting to X. Our pinned post contains all the details you need to keep up to date with our Institute news.
Inst of Systems, Molecular & Integrative Biology
 @LivUniISMIB
Jan 23, 2023

Spotlight on @livuniISMIB's Sulantrix spin-out. co-founded by Prof Patrick Eyers, supported by @livuni's Enterprise Investment Fund, with state-of-the-art #multi_omics, #cheminformatics & #AI tech for #pseudoenzymes based cancer targeting drugs Full story bit.ly/SulantrixUoL

LivUniISMIB's tweet image. Spotlight on @livuniISMIB's Sulantrix spin-out. co-founded by Prof Patrick Eyers, supported by @livuni's Enterprise Investment Fund, with state-of-the-art #multi_omics, #cheminformatics & #AI tech for #pseudoenzymes based cancer targeting drugs Full story bit.ly/SulantrixUoL
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alvascience's profile picture. Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Alvascience
 @alvascience
1 h

AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics

alvascience's tweet image. AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 11

📈 Chemische Datenbanken in Sekunden filtern. SMARTS-Pattern-Suche für präzise Ergebnisse. ➡ biochemcalc.com/sfd_m?referrer…. #SubstructureSearch #ChemInformatics #DrugDiscovery

BioChemCalc's tweet image. 📈 Chemische Datenbanken in Sekunden filtern. SMARTS-Pattern-Suche für präzise Ergebnisse. ➡ biochemcalc.com/sfd_m?referrer…. #SubstructureSearch #ChemInformatics #DrugDiscovery
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alvascience's profile picture. Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Alvascience
 @alvascience
Nov 11

🦜 Predicting pesticide toxicity in birds Samal et al. developed QSTR models using #alvaDesc descriptors to predict pesticide toxicity toward California quail. 🔗 alvaDesc: alvascience.com/alvadesc/ 🔗 Paper: doi.org/10.1039/D4EM00… #QSAR #Cheminformatics #Ecotoxicology #InSilico

alvascience's tweet image. 🦜 Predicting pesticide toxicity in birds Samal et al. developed QSTR models using #alvaDesc descriptors to predict pesticide toxicity toward California quail. 🔗 alvaDesc: alvascience.com/alvadesc/ 🔗 Paper: doi.org/10.1039/D4EM00… #QSAR #Cheminformatics #Ecotoxicology #InSilico
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 10

💻 Keine Installation nötig: Browser öffnen, SMILES einfügen, Ergebnisse erhalten. ➡ biochemcalc.com/sfd_m?referrer…. #OnlineTools #Cheminformatics #MolecularDesign

BioChemCalc's tweet image. 💻 Keine Installation nötig: Browser öffnen, SMILES einfügen, Ergebnisse erhalten. ➡ biochemcalc.com/sfd_m?referrer…. #OnlineTools #Cheminformatics #MolecularDesign
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 9

⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign

BioChemCalc's tweet image. ⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign
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gicrisf's profile picture. (make-bio :work 'dev :grad '(MS . medchem) :lang '(lisp rust) :gender nil)
Giovanni Crisalfi
 @gicrisf
Nov 9

After several months, I'm finally sharing the first pre-release of Emacs Indigo, a native #Emacs module that brings the #Indigo #cheminformatics library to Emacs #Lisp. It's now at a point where the core functionality is solid enough to share. (1/7)

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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 8

🔬 Integrieren Sie SMARTS-Filter in Ihr Screening. Finden Sie schnell Moleküle mit gewünschten Substrukturen. ➡ biochemcalc.com/sfd_m?referrer…. #ScreeningTools #SubstructureSearch #Cheminformatics

BioChemCalc's tweet image. 🔬 Integrieren Sie SMARTS-Filter in Ihr Screening. Finden Sie schnell Moleküle mit gewünschten Substrukturen. ➡ biochemcalc.com/sfd_m?referrer…. #ScreeningTools #SubstructureSearch #Cheminformatics
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 7

🚀 Sortieren Sie Moleküle nach Lipophilie (cLogP), Größe (MW) oder Polarität (TPSA) – interaktiv und schnell. ➡ biochemcalc.com/sfd_m?referrer…ät%20%28TPSA%29%20%E2%80%93%20interaktiv%20und%20schnell. #DrugDiscovery #MolecularProperties #ChemInformatics

BioChemCalc's tweet image. 🚀 Sortieren Sie Moleküle nach Lipophilie (cLogP), Größe (MW) oder Polarität (TPSA) – interaktiv und schnell. ➡ biochemcalc.com/sfd_m?referrer…ät%20%28TPSA%29%20%E2%80%93%20interaktiv%20und%20schnell. #DrugDiscovery #MolecularProperties #ChemInformatics
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 4

💡 Forschung effizienter machen: Batch-SMILES-Import Automatische Strukturzeichnung Physikochemische Sortierung ➡biochemcalc.com/sfd_m?referrer…. #DrugDiscovery #Cheminformatics #ResearchEfficiency

BioChemCalc's tweet image. 💡 Forschung effizienter machen: Batch-SMILES-Import Automatische Strukturzeichnung Physikochemische Sortierung ➡biochemcalc.com/sfd_m?referrer…. #DrugDiscovery #Cheminformatics #ResearchEfficiency
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alvascience's profile picture. Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Alvascience
 @alvascience
Nov 4

📢 Our Japanese reseller @AffinityScience will host a free #alvaDesc online workshop on December 2 (Tue)! The hands-on session will cover key features, tips, and practical exercises for molecular descriptor calculation. 🔗 Details affinity-science.com/news_20251030_… #Cheminformatics #QSAR

alvascience's tweet image. 📢 Our Japanese reseller @AffinityScience will host a free #alvaDesc online workshop on December 2 (Tue)! The hands-on session will cover key features, tips, and practical exercises for molecular descriptor calculation. 🔗 Details affinity-science.com/news_20251030_… #Cheminformatics #QSAR
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alvascience's profile picture. Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Alvascience
 @alvascience
Nov 4

🧬 New study in J. Chromatography Open predicts enantioseparations using achiral & chiral molecular descriptors. Achiral descriptors were calculated with #alvaDesc. 🔗 doi.org/10.1016/j.jcoa… ➡️ alvascience.com/alvadesc/ #QSAR #Cheminformatics #Chromatography #ChiralRecognition

alvascience's tweet image. 🧬 New study in J. Chromatography Open predicts enantioseparations using achiral & chiral molecular descriptors. Achiral descriptors were calculated with #alvaDesc. 🔗 doi.org/10.1016/j.jcoa… ➡️ alvascience.com/alvadesc/ #QSAR #Cheminformatics #Chromatography #ChiralRecognition
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biotecnika's profile picture. Biotecnika | Biotech Education | Job Portal | BioTecNika Prime - https://t.co/OeL2pIhQSp
biotecnika
 @biotecnika
Nov 4

⚠️ FINAL CALL ANNOUNCED⚠️ 💪 Rasayanika's AI ML in Chemistry & Cheminformatics Internship Program REGISTRATIONS CLOSING! 💬Chat now: rsnk.in/contact-ai-ml-… 👌Click to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics #HandsOnProjects #ResearchS

biotecnika's tweet image. ⚠️ FINAL CALL ANNOUNCED⚠️ 💪 Rasayanika's AI ML in Chemistry & Cheminformatics Internship Program REGISTRATIONS CLOSING! 💬Chat now: rsnk.in/contact-ai-ml-… 👌Click to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics #HandsOnProjects #ResearchS
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 3

🔍 SMARTS-Filter: Suchen Sie gezielt nach funktionellen Gruppen oder Substrukturen in Ihren Molekülen. Perfekt für SAR-Studien. biochemcalc.com/sfd_m?referrer…. #ChemInformatics #SubstructureSearch #SMILES

BioChemCalc's tweet image. 🔍 SMARTS-Filter: Suchen Sie gezielt nach funktionellen Gruppen oder Substrukturen in Ihren Molekülen. Perfekt für SAR-Studien. biochemcalc.com/sfd_m?referrer…. #ChemInformatics #SubstructureSearch #SMILES
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iwatobipen's profile picture. Medicinal Chemist? Interested in Chemoinformatics, Running. Opinions and tweets are my own. @iwatobipen.bsky.soscial
pen(Taka)
 @iwatobipen
Nov 2

Run MD simulation with Openff&Openmm on pixi's env #cheminformatics #RDKit #pixi #memo iwatobipen.wordpress.com/2025/11/02/run…

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GloriusGroup's profile picture. Team of highly motivated 😍 young chemists👩‍🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future.🌍
Glorius Group
 @GloriusGroup
Mar 13

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩 #Cheminformatics #DataScience #Chemistry

GloriusGroup's tweet image. Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩 #Cheminformatics #DataScience #Chemistry
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Chemistry_Net's profile picture. A chemistry site aimed mainly at university and senior high school students, scientists and the general public.
Chemistry Net
 @Chemistry_Net
Mar 10, 2024

Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR doi.org/10.1038/s41573…… #cheminformatics #qsar #deeplearning #drugdiscovery

Chemistry_Net's tweet image. Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR doi.org/10.1038/s41573…… #cheminformatics #qsar #deeplearning #drugdiscovery
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biotecnika's profile picture. Biotecnika | Biotech Education | Job Portal | BioTecNika Prime - https://t.co/OeL2pIhQSp
biotecnika
 @biotecnika
Oct 12

🔥 AI ML in Chemistry & Cheminformatics – Hands-on Industrial Training Program 👉 Click here to Chat: rsnk.in/contact-ai-ml-… 👉 Click here to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics #ChemistryTraining #HandsOnProjects #PaperPublication

biotecnika's tweet image. 🔥 AI ML in Chemistry & Cheminformatics – Hands-on Industrial Training Program 👉 Click here to Chat: rsnk.in/contact-ai-ml-… 👉 Click here to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics #ChemistryTraining #HandsOnProjects #PaperPublication
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Marine_Drugs's profile picture. Marine Drugs (ISSN 1660-3397, IF 5.4) is an open access journal on the research of biologically and therapeutically active compounds from the sea.
Marine Drugs MDPI
 @Marine_Drugs
Mar 11, 2023

Review: Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs, by Federico Gago mdpi.com/1660-3397/21/2… #enzymeinhibitors #marinenaturalproducts #cheminformatics

Marine_Drugs's tweet image. Review: Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs, by Federico Gago mdpi.com/1660-3397/21/2… #enzymeinhibitors #marinenaturalproducts #cheminformatics
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biotecnika's profile picture. Biotecnika | Biotech Education | Job Portal | BioTecNika Prime - https://t.co/OeL2pIhQSp
biotecnika
 @biotecnika
Oct 8

🥳BRAND NEW LAUNCH🥳 🥁Drum Roll Please🥁 🔥 AI ML in Chemistry & Cheminformatics – Hands-on Industrial Training Program 👉 Click here to Chat: rsnk.in/contact-ai-ml-… 👉 Click here to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics

biotecnika's tweet image. 🥳BRAND NEW LAUNCH🥳 🥁Drum Roll Please🥁 🔥 AI ML in Chemistry & Cheminformatics – Hands-on Industrial Training Program 👉 Click here to Chat: rsnk.in/contact-ai-ml-… 👉 Click here to Register: rsnk.in/ai-ml-chem-and… #AIinChemistry #MLinChemistry #Cheminformatics
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Molecules_MDPI's profile picture. Molecules (ISSN 1420-3049, IF 4.6) is an international, #openaccess journal, covering all aspects of #chemistry, published semi-monthly online by MDPI
Molecules MDPI
 @Molecules_MDPI
Feb 20, 2023

📢 New Special Issue Open: "Recent Advances in Molecular Computational Chemistry" warmly welcoming new submissions. ✏️ Guest edited by Prof. Dr. Weiwei Han, Prof. Dr. Lihong Hu and Dr. Juexin Wang 🔗 mdpi.com/journal/molecu… 📌 #moleculardesign #cheminformatics #datamining

Molecules_MDPI's tweet image. 📢 New Special Issue Open: "Recent Advances in Molecular Computational Chemistry" warmly welcoming new submissions. ✏️ Guest edited by Prof. Dr. Weiwei Han, Prof. Dr. Lihong Hu and Dr. Juexin Wang 🔗 mdpi.com/journal/molecu… 📌 #moleculardesign #cheminformatics #datamining
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JCIM_JCTC's profile picture. Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
JCIM & JCTC Journals
 @JCIM_JCTC
Jul 17, 2023

Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark #AIChemistry #cheminformatics pubs.acs.org/doi/10.1021/ac… @SPodlewska @kudkudakpl Vol63 Issue11 #JCIM #MachineLearning #DeepLearning

JCIM_JCTC's tweet image. Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark #AIChemistry #cheminformatics pubs.acs.org/doi/10.1021/ac… @SPodlewska @kudkudakpl Vol63 Issue11 #JCIM #MachineLearning #DeepLearning
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gklambauer's profile picture. Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
Günter Klambauer
 @gklambauer
Sep 1, 2023

Predicting molecular activity with XGBoost. 📊🧪 Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML Paper: link.springer.com/article/10.118…

gklambauer's tweet image. Predicting molecular activity with XGBoost. 📊🧪 Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML Paper: link.springer.com/article/10.118…
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JCIM_JCTC's profile picture. Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
JCIM & JCTC Journals
 @JCIM_JCTC
Jul 19, 2023

Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective #cheminformatics pubs.acs.org/doi/10.1021/ac… Vol63 Issue10 #JCIM #MachineLearning #deeplearning

JCIM_JCTC's tweet image. Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective #cheminformatics pubs.acs.org/doi/10.1021/ac… Vol63 Issue10 #JCIM #MachineLearning #deeplearning
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NouranFara44118's profile picture. #Phd_MEXT Scholar @WPI_IIIS @UNIV_TSUKUBA #Neuroscience_Sleep_Medicine #Pharmacogenomics #Science_Communicator 🇿🇦 🇨🇭 🇯🇵 🇩🇪 🇮🇹 🇸🇦 🇫🇷
Nouran Farag
 @NouranFara44118
Sep 10, 2023

Super Excited to present my poster"E34" today for #IBRO2023 @IBROorg in GRANADA💫 if you are interested in #OMICS & #Cheminformatics approach, come and visit my poster!

NouranFara44118's tweet image. Super Excited to present my poster"E34" today for #IBRO2023 @IBROorg in GRANADA💫 if you are interested in #OMICS & #Cheminformatics approach, come and visit my poster!
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JCIM_JCTC's profile picture. Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
JCIM & JCTC Journals
 @JCIM_JCTC
Jul 27, 2023

OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions #cheminformatics #MolecularSimulations pubs.acs.org/doi/10.1021/ac… Vol63 Issue11 #JCIM #copmchem

JCIM_JCTC's tweet image. OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions #cheminformatics #MolecularSimulations pubs.acs.org/doi/10.1021/ac… Vol63 Issue11 #JCIM #copmchem
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
Nov 9

⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign

BioChemCalc's tweet image. ⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign
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LivUniISMIB's profile picture. We're no longer posting to X. Our pinned post contains all the details you need to keep up to date with our Institute news.
Inst of Systems, Molecular & Integrative Biology
 @LivUniISMIB
Jan 23, 2023

Spotlight on @livuniISMIB's Sulantrix spin-out. co-founded by Prof Patrick Eyers, supported by @livuni's Enterprise Investment Fund, with state-of-the-art #multi_omics, #cheminformatics & #AI tech for #pseudoenzymes based cancer targeting drugs Full story bit.ly/SulantrixUoL

LivUniISMIB's tweet image. Spotlight on @livuniISMIB's Sulantrix spin-out. co-founded by Prof Patrick Eyers, supported by @livuni's Enterprise Investment Fund, with state-of-the-art #multi_omics, #cheminformatics & #AI tech for #pseudoenzymes based cancer targeting drugs Full story bit.ly/SulantrixUoL
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nanome_inc's profile picture. Nanome is the ultimate interface for scientific discovery, starting with molecular data. Available on the new Meta Quest Pro.
Nanome
 @nanome_inc
Aug 29, 2024

We’re excited to announce that #MARAByNanome and @CDDVault are partnering to accelerate your #cheminformatics #DrugDiscovery workflows! 🤝 Learn more about this game-changing partnership here: hubs.li/Q02M_GVL0

nanome_inc's tweet image. We’re excited to announce that #MARAByNanome and @CDDVault are partnering to accelerate your #cheminformatics #DrugDiscovery workflows! 🤝 Learn more about this game-changing partnership here: hubs.li/Q02M_GVL0
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LabMs2's profile picture. Multidisciplinary young Lab using mass spectrometry and bio/chemoinformatics to accelerate discoveries
Laboratorio MS2
 @LabMs2
Oct 17, 2023

The "1er taller METGEN" has ended, big thanks to all the participants! 7 states, 9 Institutions, 24 attendees, 2 Hotels @cinvestav @UNAM_MX @CIATEJ @incmnszmx @ciadculiacan @udg_oficial @TecdeMonterrey @IPN_MX @todoscicese #Mexico #Metabolomics #Cheminformatics #LCMS2

LabMs2's tweet image. The "1er taller METGEN" has ended, big thanks to all the participants! 7 states, 9 Institutions, 24 attendees, 2 Hotels @cinvestav @UNAM_MX @CIATEJ @incmnszmx @ciadculiacan @udg_oficial @TecdeMonterrey @IPN_MX @todoscicese #Mexico #Metabolomics #Cheminformatics #LCMS2
LabMs2's tweet image. The "1er taller METGEN" has ended, big thanks to all the participants! 7 states, 9 Institutions, 24 attendees, 2 Hotels @cinvestav @UNAM_MX @CIATEJ @incmnszmx @ciadculiacan @udg_oficial @TecdeMonterrey @IPN_MX @todoscicese #Mexico #Metabolomics #Cheminformatics #LCMS2
LabMs2's tweet image. The "1er taller METGEN" has ended, big thanks to all the participants! 7 states, 9 Institutions, 24 attendees, 2 Hotels @cinvestav @UNAM_MX @CIATEJ @incmnszmx @ciadculiacan @udg_oficial @TecdeMonterrey @IPN_MX @todoscicese #Mexico #Metabolomics #Cheminformatics #LCMS2
LabMs2's tweet image. The "1er taller METGEN" has ended, big thanks to all the participants! 7 states, 9 Institutions, 24 attendees, 2 Hotels @cinvestav @UNAM_MX @CIATEJ @incmnszmx @ciadculiacan @udg_oficial @TecdeMonterrey @IPN_MX @todoscicese #Mexico #Metabolomics #Cheminformatics #LCMS2
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manas_mahale's profile picture. Cheminformatics | ML | Drug Discovery | Erasmus Mundus Scholar
Manas Mahale
 @manas_mahale
Dec 24, 2023

Might be of some use and interest to those interested in working on Molecular Networks. pypi.org/project/molecu… Comments and suggestions are welcome ! #cheminformatics

manas_mahale's tweet image. Might be of some use and interest to those interested in working on Molecular Networks. pypi.org/project/molecu… Comments and suggestions are welcome ! #cheminformatics
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WolframResearch's profile picture. Where computation meets knowledge. Creators of Mathematica, @Wolfram_Alpha, Wolfram Language. Founded in 1987 by @stephen_wolfram.
Wolfram
@WolframResearch
Sep 28, 2023

Connect the molecules in chemical space! See how a #WSS2023 student generated and analysed chemical space networks from molecular fingerprints: wolfr.am/1gKtQTk9a #cheminformatics #biochemistry

WolframResearch's tweet image. Connect the molecules in chemical space! See how a #WSS2023 student generated and analysed chemical space networks from molecular fingerprints: wolfr.am/1gKtQTk9a #cheminformatics #biochemistry
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