Alvascience
@alvascience
Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem http://youtube.com/@alvascience
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🚀 alvaModel 3.0.0 is here! Our biggest update yet brings: ✅ Decision Tree & Random Forest models ✅ AUROC, F1 Score, MCC, CI plots ✅ Radar plots, ROC & PR curves ✅ New interface for model comparison ✅ External prediction without alvaRunner
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips HTw – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Hkw – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
🎉 Great news for Mac users! We’re happy to share that all Alvascience software tools - alvaDesc, alvaModel, alvaBuilder, alvaRunner, and alvaMolecule - are now fully compatible with macOS Tahoe. 🔗 Learn more about our tools: alvascience.com #Alvascience #macOS #Tahoe
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips HIC – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
🇯🇵 Webinar: What’s New in alvaModel 3.0 Our Japanese reseller @AffinityScience is hosting a webinar on Dec 16 (Tue) to introduce the new features of alvaModel 3.0. 🔗 Details (JP): affinity-science.com/news_20251114_… #alvaModel #QSAR #Cheminformatics #MachineLearning #Alvascience
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips HIC – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ISH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
分子の特徴量から回帰や分類のモデルを自動生成するソフト #alvaModel 3.0の新機能を説明するウェビナーを12月16日（火）に開催します。ご興味をお持ちの方はぜひご参加ください。登録者向けオンデマンド配信も予定しています。 詳細はこちら↓ affinity-science.com/news_20251114_…
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
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ITH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/
🦜 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
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips V total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips D total accessibility WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/
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