Happy holidays from all of us at Alvascience!
Thank you for your continued support throughout the year, we look forward to new ideas, collaborations, and discoveries in the next year.

#alvaMolecule #alvaDesc #alvaModel #alvaRunner #alvaBuilder #alvaQSAR #chemsky

alvaModel/alvaRunner並びにalvaBuilderオンライン講習会開催のご案内 | 株式会社アフィニティサイエンス 2026年1月に開催するalvaModelオンライン講習会とalvaBuilderオンライン講習会のご案内ニュース

📢 Webinar announcement by Affinity Science 🇯🇵

Hands-on online Japanese webinar on #alvaBuilder Jan 27, 2026
Discover how to generate new molecules from scratch based on molecular features and structural constraints.

🔗 affinity-science.com/news_2025122...

#DeNovoDesign #MolecularDesign

alvaBuilder - Alvascience alvaBuilder AlvaBuilder is a software tool for de novo molecular design (Mauri, A., & Bertola, M. (2024). AlvaBuilder: A Software for De Novo Molecular Design.

🧩 Learn more about alvaBuilder here: www.alvascience.com/alvabuilder/
📖 Read the publication: Mauri, A., & Bertola, M. (2023). AlvaBuilder: A Software for De Novo Molecular Design. doi.org/10.1021/acs....

#alvaBuilder #DeNovoDesign #Cheminformatics #DrugDiscovery #MolecularDesign #QSAR #chemsky

Structure‐Guided De Novo Design of Carbapenem Analogs Targeting Penicillin‐Binding Protein 1B Using Pharmacophore‐Based Strategies The graphical abstract outlines a computational pipeline for designing novel carbapenem analogues. Starting with existing carbapenems, pharmacophore models are built and compounds from ZINCpharmer ar....

🧬 ChemistrySelect: Habib et al. designed carbapenem analogs targeting PBP1B using pharmacophore-based strategies.

📊 50 new analogs generated with #alvaBuilder → several outperformed Meropenem in docking & MD simulations.

📄 doi.org/10.1002/slct...
🔗 alvascience.com/alvaBuilder/

#cheminformatics

HPLC characterization, molecular docking, QSAR and molecular dynamics simulation of Alstonia boonei phytochemical analogs as potent 5-alpha reductase inhibitors - Discover Chemistry Background Current chemotherapy for Benign Prostatic Hyperplasia (BPH) relies on 5-alpha reductase inhibitors like Finasteride and Dutasteride, which are associated with significant side effects. This...

New study: Alstonia boonei phytochemicals optimized as 5-alpha reductase inhibitors for BPH.

💡 12,500 analogs generated via #alvaBuilder → top hits beat Finasteride in docking (–9.98 vs –7.23 kcal/mol)

Paper: doi.org/10.1007/s443...
AlvaBuilder: alvascience.com/alvabuilder/

#QSAR #chemsky

AlvaBuilder has been used in "Pharmacophore-guided computational modeling of quinolone-ATPase conjugate inhibitors targeting DNA GyrB subunit of Staphylococcus aureus" doi.org/10.1016/j.co...

Check alvaBuilder at: alvascience.com/alvabuilder/

#cheminformatics #compchem #alvabuilder

🎉 Alvascience Annual User Meetup 🎉

📅 Feb 7, 2025 | ⏰ 3:00–6:00 PM IST
🔗 Register: bit.ly/427xUtv (Click “Buy now for FREE” & “Sign up” if needed.)

Learn about the QSAR workflow with #alvaMolecule, #alvaDesc, #alvaModel, #alvaRunner, & #alvaBuilder.

#QSAR #Cheminformatics #machinelearning

🎥 Meet alvaBuilder: De Novo Molecular Design Made Simple!

Generate novel molecules, optimize properties, and streamline your design process with alvaBuilder.

📺 Watch the intro video: www.youtube.com/watch?v=YNS_...

#alvaBuilder #MolecularDesign #Cheminformatics #DrugDiscovery #QSAR

AlvaBuilder has been used in "De Novo Design of Inhibitors of DNA Methyltransferase 1: A Critical Comparison of Ligand- and Structure-Based Approaches" doi.org/10.3390/biom...

Check #alvaBuilder at: alvascience.com/alvabuilder/

#drugdesign #insilico #cheminformatics #machinelearning

We are glad to share that the application note "AlvaBuilder: A Software for De Novo Molecular Design" pubs.acs.org/doi/10.1021/... is now open access.

#alvabuilder #Researchpaper #drugdiscovery #drugdesign #machinelearning #cheminformatics #OpenAccess #compchem

🚀 Design New Molecules with alvaBuilder!

Learn how to easily perform scaffold decoration and generate novel molecules with our intuitive software.

🎥 Watch the video: www.youtube.com/watch?v=Duu1...

#alvaBuilder #cheminformatics #scaffolddecoration #moleculardesign #alvascience

On Thursday, December 5th, our partner Affinity Science will host a hands-on webinar introducing the basics of #alvaBuilder

For more details, click here ↓
affinity-science.com/news_2024111...

#drugdesign #drugdiscovery #webinar

Alvascience tools have been used in "Machine learning approach for predicting high JSC donor molecules in fullerene-typed organic solar cells" doi.org/10.1016/j.cp...

Check Alvascience tools at: www.alvascience.com

#alvadesc #alvamodel #alvabuilder #solarcells