Top Tweets for #qspr
New research using alvaDesc:
Pydi et al. combine experimental screening with AquaBoxIL QSPR biodegradability predictions based on alvaDesc molecular descriptors to investigate new potential pyrethroid synergists.
DOI: 10.1021/acsomega.6c05301
#alvaDesc #QSPR #Cheminformatics
How can molecular structures and physicochemical properties be estimated from NMR spectra using QSPR models?
This document introduces a reverse analysis workflow integrating NMR data with QSPR modeling.
👉https://t.co/sV5AAAdZDx
#NMR #QSPR #MaterialsInformatics #JEOL
Interested in QSAR/QSPR modeling?
Check out this short video introducing alvaModel, a tool for building and validating predictive models in cheminformatics.
🔗 https://t.co/qc1Yn9kGa4
🎥 https://t.co/uaUCfznBjh
#QSAR #QSPR #Cheminformatics #alvaModel #MachineLearning
For those interested in #MolecularPropertyPrediction / #QSAR / #QSPR: the scaffold split evaluation overestimates the performance of AI/ML models. Here is the paper https://t.co/9pRRCQRSzX #ArtificiallyInteligence #MachineLearning
$HBAR looks absolutely freaking fantastic on this dip- tapped our original entry zone a second time, putting in a higher low.
Added another 4M $HBAR to my position.
Targeting the local highs for now and then see how things look from there.
Check how you can easily export and share the models developed with alvaModel as an alvaRunner project.
https://t.co/PUYJAwPtVK
You can find more information on alvaModel at: https://t.co/qc1Yn9kGa4
#machinelearning #moleculardescriptors #qsar #qspr #cheminformatics
Another Small Tool from the DTC Laboratory, Jadavpur University :
DTC Virtual Sample Generator v1.0
This may be helpful to expand small Training sets for #QSAR / #QSPR / #MachineLearning model generation
Developed by Arkaprava Banerjee, Jadavpur University
https://t.co/aOjfhMW07g
Ma dernière enquête en date pour Info Chimie - Transformation #digitale : une opportunité pour la #chimie d'accélérer sa #recherche et #développement. #IA #LIMS #QSPR #digitalisation @Alcimed @SolvayGroup @Alysophil_fr @ECPM_Unistra https://t.co/cV0pp0TM32
the cost of training a GPTChem @kmjablonka) regression model (by for AqSol dataset is 0.8$, with 2.3K compounds in training and ~7K in test, a bit weird split but it was a test. Most of the predictions fall into int numbers. #chatgpt #qspr
A machine learning q-RASPR approach for efficient predictions of the specific surface area of perovskites.
Molecular Informatics (Wiley, IF 4.05), 2023
https://t.co/DVOtuISMyn
From DTC Laboratory, Jadavpur University
#compchem #qspr #qRASPR #materialsscience #machinelearning
Hi @LatinXChem, this is my work ‘In search of new antibacterials towards Acinetobacter baumannii with the use of a QSPR model’, #LatinXChem22 #LXChemBio #BIO008 #QSPR @Chemaxontools #MarvinSketch
#alvaRunner v2.0.6 has just been released, it can be used to apply #QSAR and #QSPR regression and classification models developed with #alvaModel on a new set of molecules.
More info: https://t.co/oZFd4zWcIx
#cheminformatics #moleculardescriptors #compchem #MachineLearning
#alvaModel v2.0.6 has just been released, it can be used to create #QSAR and #QSPR regression and classification models.
More info: https://t.co/3OkoKEA5c8
#alvascience #cheminformatics #moleculardescriptors #Release #compchem #MachineLearning
Come to the SCI-RSC Workshop @RSC_CICAG on Computational Tools for Drug Discovery to see our tools in action.
23 Nov at The Studio in Birmingham. Registration are open: https://t.co/8X0CulTMKr
#moleculardescriptors #qsar #qspr #cheminformatics #machinelearning #drugdiscovery
Check our tutorial on how to build LogS models. It describes the development of regression models, from data curation to model deployment using Alvascience tools.
https://t.co/kG8VtF09MU
#alvascience #moleculardescriptors #tutorial #qsar #qspr #machinelearning #cheminformatics
Happy for the good reception of our work on #QSAR #QSPR (https://t.co/y1zc7QH1DF), which confirms the interest and the need to continue advancing in the development and use of new computational methodologies, which help #Pesticides #RiskAssessment. #Agriculture
Alvascience社の定量的構造活性/特性相関（ #QSAR / #QSPR ）モデル作成・適用のソフトウェアツール #alvaModel と #alvaRunner がv2.0.4へマイナーバージョンアップされました。詳細は製品紹介ページをご覧ください。https://t.co/QEFImblWqF
Webinar: QSAR/QSPR models with Alvascience software
Thursday June 23 17:00 PM | (CEST) Berlin, Rome, Stockholm, Vienna | 1 hr
Please register using the following link: https://t.co/eCbdRyWYTn
#alvascience #alvamodel #machinelearning #moleculardescriptors #qsar #qspr #webinar
Check our recent work on @Polymers_MDPI! We employ #ArtificialNeuralNetworks and the #ECNLE Theory to estimate #polymers'alpha-relaxation trend by predicting their #GlassTransition #Temperature from their #ChemicalStructure.
Link to the paper: https://t.co/cT4wbtn71x #QSPR
Last Seen Hashtags on Sotwe
Trends for you
Most Popular Users
Elon Musk 
@elonmusk
241.5M followers
Barack Obama
@barackobama
118.9M followers
Cristiano Ronaldo
@cristiano
114.6M followers
Donald J. Trump
@realdonaldtrump
111.8M followers
Narendra Modi
@narendramodi
107.1M followers
Rihanna
@rihanna
98.7M followers
NASA
@nasa
92.3M followers
Justin Bieber
@justinbieber
91.8M followers
KATY PERRY
@katyperry
90.1M followers
Taylor Swift
@taylorswift13
84M followers
Lady Gaga
@ladygaga
75.5M followers
Virat Kohli
@imvkohli
73.5M followers
Kim Kardashian
@kimkardashian
70.9M followers
YouTube
@youtube
68.8M followers
Neymar Jr
@neymarjr
66.6M followers
Bill Gates
@billgates
65.3M followers
Selena Gomez
@selenagomez
63.1M followers
The Ellen Show
@theellenshow
62.2M followers
CNN
@cnn
61.7M followers
X
@x
60.7M followers