https://foresight.org/resource/stephane-redon-recent-developments-in-integrated-molecular-design/
Recent Developments in Integrated Molecular Design - Foresight Institute
Mar 16, 2026 - In recent years, SAMSON has emerged as a popular platform for molecular design, offering an integrated environment for scientists to model, simulate, and...
recent developmentsmolecular designforesight instituteintegrated
https://impact.ornl.gov/en/publications/investigations-of-polymer-molecular-design-for-high-performance-l/
Investigations of polymer molecular design for high performance lubricant additives - Oak Ridge...
molecular designhigh performancelubricant additivesoak ridgeinvestigations
https://pure.bit.edu.cn/en/publications/molecular-design-and-synthesis-of-hydroxyalkyl-cellulose-ether-ni/
Molecular design and synthesis of hydroxyalkyl cellulose ether nitrate as novel energetic adhesive...
molecular designcellulose ethersynthesisnitratenovel
https://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=20405442
Stilbene-Containing Polyactylenes : Molecular Design, Synthesis, and Relationship Between Molecular...
molecular designcontainingsynthesisrelationship
https://phd.uniroma1.it/web/III-year-XXXIX-Cycle_nK870_EN.aspx
III year XXXIX Cycle | MOLECULAR DESIGN AND CHARACTERIZATION FOR THE PROMOTION OF HEALTH AND...
PhD in molecular design and characterization for the promotion of health and well-being: from drug to food at Sapienza University of Rome. Curricula,...
molecular designfor theiiiyearxxxix
https://science.osti.gov/nvbl/NVBL-Projects/Molecular-Design
NVBL Molecular Design Highlights | U.S. DOE Office of Science(SC)
molecular designhighlightsdoeofficescience
https://www.eng.ufl.edu/news-events/events/mse-seminar-machine-learning-accelerated-molecular-design-of-innovative-polymers-shifting-from-thomas-edison-to-iron-man/
MSE Seminar: Machine Learning-accelerated Molecular Design of Innovative Polymers: Shifting from...
Dec 1, 2025 - Abstract Polymeric materials are critical in aerospace, mechanical, civil, and environmental engineering, enabling applications like reverse osmosis membranes...
machine learningmolecular designmseseminaraccelerated
https://pubs.rsc.org/en/content/articlelanding/2025/sc/d5sc01476j
Directly optimizing for synthesizability in generative molecular design using retrosynthesis models...
Synthesizability in generative molecular design remains a pressing challenge. Existing methods to assess synthesizability include heuristics-based metrics or...
molecular designdirectlyoptimizinggenerativeusing
https://experts.boisestate.edu/en/publications/amphiphilic-chlorins-and-bacteriochlorins-in-micellar-environment/
Amphiphilic chlorins and bacteriochlorins in micellar environments. Molecular design, de novo...
molecular designmicellarenvironmentsnovo
https://iris.unical.it/handle/20.500.11770/137896
Open Circuit Voltage Tuning through Molecular Design in Hydrazone End Capped Donors for Bulk...
open circuitmolecular designvoltagetuningend
https://scholarworks.gnu.ac.kr/item/ec3c7c1b-918c-42f9-9248-7d349d55e5b9
ScholarWorks :: Molecular Design of Aramid Copolymer for Enhanced Toughness and Retention...
Aramid fibers are valued for their high strength, stiffness, and thermal stability, but their intrinsic chain rigidity restricts toughness and fatigue resistanc
molecular designaramidenhancedtoughnessretention
https://www.preprints.org/manuscript/202409.0013
Revolutionizing Molecular Design for Innovative Therapeutic Applications through Artificial...
The field of computational protein engineering has been transformed by recent advancements in machine learning, artificial intelligence, and molecular...
molecular designtherapeutic applicationsrevolutionizinginnovativeartificial
https://deepai.org/publication/reinforcement-learning-for-molecular-design-guided-by-quantum-mechanics
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics | DeepAI
Feb 18, 2020 - 02/18/20 - Automating molecular design using deep reinforcement learning (RL) holds the promise of accelerating the discovery of new chemical...
reinforcement learningmolecular designquantum mechanicsguideddeepai
https://scholarworks.umass.edu/entities/publication/12f02f73-c877-4ab9-9aac-06b20da90e1c
Molecular Design of Polymer Combs and Living Gels
Thermosetting resins are materials that undergo crosslinking by forming interchain linkages to create robust 3D networks that impart creep, thermomechanical,...
molecular designpolymercombslivinggels
https://www.frontiersin.org/journals/energy-research/articles/10.3389/fenrg.2014.00020/full
Frontiers | Characterization-Based Molecular Design of Bio-Fuel Additives Using Chemometric and...
In this work, multivariate characterization data such as infrared (IR) spectroscopy was used as a source of descriptor data involving information on molecula...
molecular designfuel additivesfrontierscharacterizationbased
https://bioengineer.org/boosting-molecular-design-with-electron-cloud-insights/
Boosting Molecular Design with Electron Cloud Insights
Oct 15, 2025 - In a groundbreaking shift in the AI-driven drug design landscape, the introduction of ECloudGen is marking a significant milestone. This advanced generative...
molecular designelectron cloudboostinginsights
https://www.pnnl.gov/projects/mars/projects/graph-based-machine-intelligence-automate-molecular-design
Graph-Based Machine Intelligence to Automate Molecular Design | PNNL
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https://strathprints.strath.ac.uk/51801/
Molecular design of antifouling polymer brushes using sequence-specific peptoids - Strathprints
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https://www.umu.se/en/student/syllabus/5ke139/
Syllabus, Computer-aided molecular design, 2012-07-09 and until further notice
molecular designsyllabuscomputeraidednotice
https://avesis.hacettepe.edu.tr/publication/details/294a7972-7557-4f86-8d06-84b020128c6f/the-new-stimuli-responsive-lipid-nanotube-for-protein-transport-and-release-from-molecular-design-to-application
The new stimuli responsive lipid nanotube for protein transport and release from molecular design...
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https://openreview.net/forum?id=Yqc95PDN7h
Dynamic Beam Enumeration: A Bridge Between Generative Molecular Design and Library Screening |...
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https://pure.psu.edu/en/publications/molecular-design-and-crystal-engineering-of-oligothiophenes-using/
Molecular design and crystal engineering of oligothiophenes using dicyanovinyl (DCV) and...
molecular designcrystalengineeringusing
https://www.cmdm.tw/
Computational Molecular Design & Metabolomics Lab
molecular designcomputationalmetabolomicslab
https://www.bio-conferences.org/articles/bioconf/ref/2026/25/bioconf_icbbb2026_02001/bioconf_icbbb2026_02001.html
AI-assisted molecular design of quinolone alkaloid analogues as pancreatic lipase inhibitor...
BIO Web of Conferences, open access proceedings in biology, life sciences and health
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https://takagi-lab.web.nitech.ac.jp/
Laboratory of Molecular Design for Polymerization Catalysts and Optoelectronic Materials (Takagi...
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https://www.bioinformatik.de/bioinformatik-in-deutschland/forschung/arbeitsgruppen/prof-dr-gerhard-wolber-computer-aided-molecular-design/
Prof. Dr. Gerhard Wolber: Computer-Aided Molecular Design - Fachgruppe Bioinformatik
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https://www.catalyzex.com/paper/multi-objective-latent-space-optimization-of
Multi-Objective Latent Space Optimization of Generative Molecular Design Models
Multi-Objective Latent Space Optimization of Generative Molecular Design Models: Paper and Code. Molecular design based on generative models, such as...
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https://nanodigest.in/tag/molecular-design/
molecular design Archives | Nanodigest
Scientists have developed two new materials assembled from silver clusters with excellent stability and the ability to detect Fe3+ selectivity. Silver
molecular designarchives
https://scholars.cityu.edu.hk/en/studentTheses/rational-molecular-design-and-concise-synthesis-of-high-performan/
Rational Molecular Design and Concise Synthesis of High-Performance Near-Infrared Chromophores for...
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https://www.krellinst.org/csgf/conf/2006/abstracts/radhakrishnan
Specificity in Molecular Design: Probing the Intrinsic and Extrinsic Determinants of Binding...
An effective drug must bind with high specificity to its intended target in the body; if not, deleterious side effects might occur. However, if the target is...
molecular designspecificityprobingintrinsicdeterminants
https://researchwith.stevens.edu/en/publications/optimal-chain-architectures-for-the-molecular-design-of-functiona/
Optimal chain architectures for the molecular design of functional polymer surfaces - Stevens...
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https://vlifesciences.com/
Computer aided molecular design, drug design, QSAR, Molecular Modeling Software
Computer aided molecular design and drug design company offering Molecular docking, QSAR, 2D QSAR, 3D QSAR, Molecular modeling, Homology modeling, Fragment...
molecular designcomputeraideddrugmodeling
https://www.rmit.edu.au/about/schools-colleges/science/research/research-areas/applied-sciences/physics/molecular-design-complex-lubricants
Molecular design of complex lubricants to reduce friction - RMIT University
The overall aim of this project is to investigate the molecular level design of friction modifiers for a new generation of industrial lubricants.
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https://samurai.nims.go.jp/articles/e7c5982b-6153-4cbf-9b32-54d1906803f7?locale=ja
Molecular design of phosphatidylserine-inspired polymers for efficient anti-inflammatory therapy...
SAMURAI - NIMS Researchers Directory Service
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https://estudios.unizar.es/estudio/asignatura?anyo_academico=2024&asignatura_id=60451&estudio_id=20240688¢ro_id=100&plan_id_nk=543
Molecular Design in Inorganic and Organometallic Chemistry
molecular designorganometallic chemistryinorganic
https://globalplantcouncil.org/researchers-find-promising-locus-for-molecular-design-breeding-in-legumes/
Researchers Find Promising Locus for Molecular Design Breeding in Legumes - The Global Plant Council
Nov 23, 2023 - In cereal and legume crops, the size of the plant organs, particularly seeds, is closely related to final yield. However, the molecular mechanisms underlying...
molecular designresearchersfindpromisinglocus
https://www.scholarscentral.org/submissions/computational-methods-molecular-design.html
Scholars Central | Journal of Computational Methods in Molecular Design
Scholars Central, Journal of Computational Methods in Molecular Design online submission system.
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https://scienmag.com/molecular-design-advances-solid-state-cooling-eliminating-the-need-for-gases/
Molecular Design Advances Solid-State Cooling, Eliminating the Need for
Feb 27, 2026 - The quest for sustainable and efficient cooling technologies has reached a pivotal juncture, driving researchers to explore alternatives beyond conventional...
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https://biochempress.com/index.html
Internet Electronic Journal of Molecular Design
Internet Electronic Journal of Molecular Design is a refereed journal for scientific papers regarding all applications of molecular design
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https://www.primescholars.com/proceedings/a-rational-molecular-design-of-an-efficient-visiblelight-organic-photoredox-catalyst-for-light-driven-controlled-radical-60438.html
A rational molecular design of an efficient visible-light organic | 60438
Visible light photoredox catalysis, formerly inaccessible redox-neutral reaction scaffolds, has enabled significant development of radical chemistry in...
molecular designvisible lightrationalefficientorganic