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Chemical space
Visualization of Chemical Space Using Principal Component Analysis
Exploring Chemical Space
A Thermodynamic Atlas of Carbon Redox Chemical Space
Cheminformatic Analysis of Natural Products and Their Chemical Space
Data-Driven Astrochemistry: One Step Further Within the Origin of Life Puzzle
Navigating Chemical Space by Interfacing Generative Artificial Intelligence and Molecular Docking
Mapping the Molecular Tree of Life Using Assembly Spaces
Alexander Ruf Dissertation
The Next Level in Chemical Space Navigation: Going Far Beyond Enumerable Compound Libraries
Feature Optimization in High Dimensional Chemical Space: Statistical and Data Mining Solutions Jinuraj K
A Close-Up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
Quest for the Rings. in Silico Exploration of Ring Universe to Identify Novel Bioactive Heteroaromatic Scaffolds
Exploring Evolutionary and Chemical Space Using Chemoinformatic Tools and Traditional Methods in Pharmacognosy
June 15 - 19, 2014 • Baltimore, Maryland
Lost in Chemical Space? Maps to Support Organometallic Catalysis Natalie Fey
Advances in De Novo Drug Design: from Conventional to Machine Learning Methods
Probing the Chemical–Biological Relationship Space with the Drug Target Explorer Robert J
Chemical Space: Big Data Challenge for Molecular Diversity
Top View
The Similarity Principle – New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling
A Quantum-Inspired Approach to De-Novo Drug Design
Property Biased-Diversity Guided Explorations of Chemical Spaces by Chetan Raj Rupakheti Graduate Program in Computational Biolo
Cheminformatics to Characterize Pharmacologically Active Natural Products
Exploring the GDB-13 Chemical Space Using Deep Generative Models
Chemical Structure-Related Drug-Like Criteria of Global Approved Drugs
Cheminformatic Analysis of Natural Products and Their Chemical Space
Data-Driven Astrochemistry: One Step Further Within the Origin of Life Puzzle Alexander Ruf, Louis D’Hendecourt, Philippe Schmitt-Kopplin
On the Potential of Silicon As a Building Block for Life
Machine Learning of Interstellar Chemical Inventories
Characterizing, Navigating, and Modeling the Chemical Space Using Next-Generation Cheminformatics Methods
Visualization of Chemical Space Using Kernel Based Principal Component Research
Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design
Download Author Version (PDF)
Toward Improved Drug Discovery Against Flexible Protein Targets: an Exhaustive Study of Glutamate Racemase Conformational Dynamics, Ligand Binding, and Catalysis
Exploring the Chemical Space of Protein–Protein Interaction Inhibitors Through Machine Learning
Structure-Based Classification and Ontology in Chemistry
The Sixth International Scientific Conference “Advances in Synthesis
Evolving a Peptide: Library Platforms and Diversification Strategies
Book of Abstracts 2016
Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds
Cheminformatics & Drug Design
Exploring Chemical Space Using Natural Language Processing Methodologies for Drug Discovery
Exploration of the Chemical Space of DNA-Encoded Libraries