NOW >10,000 DOWNLOADS!🥳👋'Graph #networks for #moleculardesign' by @rociomer3 @ChemITnerf et al @AstraZeneca @jkulinz @chalmersuniv bit.ly/3v6Esp6 #machinelearning #compchem #drugdiscovery #neuralnetworks #AI #Bioinformatics #graphs #Python #genomics #cheminformatics
6
20
複雑なタンパク質のパズルを、Pythonのコードが解き明かしていく。そんな精密な科学の美しさを表現しました。
piped.video/5bt0XV4V1Qg
#AIイラスト #MolecularDesign #Python
2
8
304
Fujita Neuroscience Forum 🌍R8年度第5回は、AI駆動による低分子創薬とバーチャルスクリーニング法がご専門のConnor Coley教授をお迎えします。
🗓️7/16（木）10:00〜 ZOOM開催｜参加無料
🔗 詳細：fujita-hu.ac.jp/~f-ora/neuro…
#AI #drugdiscovery #moleculardesign #MIT #neuroscience
1
5
179
MatOpt: A Python Package for #Nanomaterials Design Using #DiscreteOptimization #moleculardesign #MaterialsInformatics
pubs.acs.org/doi/10.1021/acs…
@xiangyu_shawn
#current_issue #compchem
2
5
AI is revolutionizing biology! Samuel King's research uses artificial intelligence to understand and design life at the molecular level, opening up new frontiers in biological design. #AIinBiology #MolecularDesign #talkbiotome #podcast
3
151
We programmed Au₁₃ clusters to dimerize via Fe ions! Ligand design enables stable dimers with fast photoinduced charge transfer—unlocking light-responsive functions.
#nanomaterials #photochemistry #moleculardesign
doi.org/10.1039/D5NR00724K
3
195
alvaBuilder is featured in a new @Cancers_MDPI review on AI and big data in cancer drug discovery, among tools for iterative compound-library screening and generation.
Great to see our work included!
doi.org/10.3390/cancers18182…
#DrugDiscovery #MolecularDesign #QSAR
39
📢 Call for Submissions to the Special Issue: Naphthalene-Based Molecules: Design, Synthesis, and Functional Applications
✏️ Guest edited by Dr. Yuan-Zheng Cheng
🔗 Issue: brnw.ch/21x4CkF
📌 #SyntheticChemistry #MolecularDesign #FunctionalMaterials #Naphthalene #Chemistry
2
3
439
📍
Trust me, I have solutions. Mostly chemical ones.
#ChemistryArt #ChemistryProblems #MolecularDesign
#JohnRoss7
2
37
📢 Call for Submissions to the Special Issue: Organic Luminescent Materials: Synthesis, Mechanism, and Applications
✏️ Guest edited by Prof. Dr. Xiaonan Ma and Dr. Jianyu Zhang
🔗 Issue: brnw.ch/21x31jh
📌 #OrganicLuminescence #MolecularDesign #LightEmittingMaterials
3
116
Benchmarking Molecular Feature Attribution Methods with #ActivityCliffs #moleculardesign #ArtificialIntelligence
pubs.acs.org/doi/10.1021/acs…
@josejimlun @Mih4S90 @NilsWeskamp
#current_issue #MachineLearning
4
13
We're inviting researchers to submit their research for our focus issue on Molecular Quantum Devices. All #OpenAccess costs are covered by @IOPPublishing.
Learn more: ow.ly/aPAm50JchzN
@TherSpinMol #QuatumMechanics #MolecularDesign #QuantumTech
2
3
NOW >7K DOWNLOADS!🥳'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign.....' by @cynt_sh @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @CIFAR_News @MPI_Light bit.ly/36pWD1k #compchem #cheminformatics #AI #quantum #HPC
6
1,061
Protein-based materials are reviewed from applications to molecular modification and AI-driven design #ProteinMaterials #MolecularDesign #Biomaterials
Details: doi.org/10.1016/j.bidere.202…
1
2
4
167
Predict protein structures using the incredible #ESMFold by @MetaAI directly from SAMSON to use the structures for docking, simulation, and more! (Just restart your SAMSON to get the new functionality). Get SAMSON at samson-connect.net.
#open #moleculardesign
2
6
AI for #MolecularDesign
#MachineLearning algorithms speed up the search for novel #drugs and #materials
buff.ly/2p7qiU7 #fintech #insurtech #healthcare #AI #ArtificialIntelligence #DeepLearning @jcarbeck @sciam @KirkDBorne @Ronald_vanLoon @ahier @psb_dc @jblefevre60
15
12
📢 New Special Issue Open for Submissions: Molecular Photothermal Agents from Design to Applications
✏️ Guest edited by Dr. Franck Camerel from University of Rennes in France
🔗 mdpi.com/journal/molecules/s…
📌 #PhotothermalEffect #MolecularDesign #OrganicChemistry
2
Design DNA origamis in SAMSON with the Adenita extension developed by Elisa De Llano and Haichao Miao ! samson-connect.net/element/d…
Create your free account at samson-connect.net to get this extension.
#moleculardesign #platform #dnaorigami #dna #cadd #SAMSON #compchem
1
4
[Article] A Novel Method for Inference of Chemical Compounds of Cycle Index Two with Desired Properties Based on Artificial Neural Networks and Integer Programming
Full #openaccess: mdpi.com/1999-4893/13/5/124
#mixedintegerlinearprogramming
#moleculardesign
#algorithms
1
1
SAMSON 2022 R2 is out! Workspaces, Visual Presets, Selectors, etc. Learn about all the new features and improvements at s-c.io/2022r2
#moleculardesign #platform #SAMSON #compchem
4
6
Build molecular boxes (solvents, membranes around proteins, surfaces, etc.) with this new free SAMSON extension! samson-connect.net/element/3…
Tutorial at documentation.samson-connect…
#moleculardesign #compchem
4
6
928
There's a new Polymer Builder extension in SAMSON: register monomers, (optional) sequences, and build polymers in a few clicks! Oh, and it's free: get it at samson-connect.net/element/4…
#moleculardesign #polymers #compchem
4
5
652
Shimmering gold molecules drape softly, each individually crafted element moving freely with the wearer. buff.ly/2WIQSEM
#moleculardesign #goldnecklace #luxuryhandmade #londondesigner
1
Are you at the @SCT_asso excellence in #MolecularDesign event next week? Say hi to team member Patrik at our booth 👋
Patrik can't wait to discuss the innovative methods advancing #DrugDiscovery (like StarDrop and Cerella!)
More info👉 optibrium.com/events/events-…
#AI #DrugDesign
ALT SCT, Institut Pasteur & Evotec logos at top of image, above title saying 'Excellence in molecular design' 14th mar 23, insitut pasteur, paris, france, one day thematic meeting
1
2
139
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins #moleculardesign #BindingSites #ProteinFamily
pubs.acs.org/doi/10.1021/acs…
@mihismi @ChrisRadoux @FrankvonDelft @JasonColeCCDC @bmarsden19
#current_issue #compchem
6
27
"Iterative DeepSARM Modeling for Compound Optimization" Available on @AILSCI!
🔗Find out more at: doi.org/10.1016/j.ailsci.202…
#iDeepSARM #SARMatrix #moleculardesign #generativemodeling #AI #DeepLearning #openaccess
1
2
Explore how #artificialintelligence is revolutionizing #drugdevelopment, from virtual screening & #moleculardesign to predicting the #drug interactions. Don't miss the #opportunity to #network with top #industryprofessionals, thought leaders & #innovators in the #pharmatech space
3
39
Running GROMACS simulations in the cloud directly from SAMSON feels nothing short of magical. Just a few days left before the release! samson-connect.net
#moleculardesign #platform #GROMACS #cloud #SAMSON
3
Predict protein structures using #AlphaFold by @DeepMind directly from SAMSON! As usual, just restart your SAMSON to get this new integrated cloud service! Or create your free account and get it at samson-connect.net
#open #moleculardesign #cloud #SAMSON
1
2
4
If you're at #RICT2018, meet Tim at our poster, or drop by stand 25 to request a free evaluation of our #moleculardesign applications.
#CompChem #MedChem #CADD #Macrocycles
3
Course open for registration: “Predictive Multiscale Materials Design” - June 21 - 25, 2021. Participants will learn how to construct atomically-precise products through the use of #MolecularDesign, #PredictiveModeling, and #Manufacturing. @ProfBuehlerMIT
bddy.me/2UPa4yR
4
12
#Nov2019_ReCap | Principles of #MolecularDesign | Cellular #EnergyMetabolism from Atoms to Phenotypes | A cell organelle is modeled in atomistic detail | Abhishek Singharoy @ASU @CellCellPress buff.ly/33VlXG6
3
2
Principles of #MolecularDesign | Cellular #EnergyMetabolism from Atoms to Phenotypes | A cell organelle is modeled in atomistic detail | Abhishek Singharoy @ASU @CellCellPress buff.ly/33VlXG6
2
7
Great new work by C Shen, @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @chemuoft @CIFAR_News - 'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign.........' - bit.ly/36rX7R8 #compchem #bigdata #informatics #quantum #AI
1
8
27
MACAW: An Accessible Tool for Molecular Embedding and Inverse #MolecularDesign #cheminformatics #drugdiscovery #drugdesign
pubs.acs.org/doi/10.1021/acs…
@mhgarci1
#current_issue #JCIM #Chemical_Information
4
7
Are you ready to hear about #sustainableproducts through #moleculardesign? Join us in Portland, OR at GC&E to learn from our distinguished speakers. @ACSGCI @UWDEOHSCE @BryanWBrooks #MoDRN
4
2