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Publications in Computer-Aided Design
On the Validity of Popular Assumptions in Computational Drug Design
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Theoretical NMR Correlations Based Structure Discussion
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Molecular Structures Enumeration and Virtual Screening in the Chemical Space With RetroPath2.0
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Generation of Structure-Based Pharmacophores Using Energetic Analysis – Application on Fragment Docking
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
UniChem: Extension of InChI-based Compound Mapping to Salt, Connectivity and Stereochemistry Layers
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Exploiting Solvent Effects in Drug Design and Optimization
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Integrating Logic-Based Machine Learning and Virtual Screening to Discover New Drugs
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Mordred: A Molecular Descriptor Calculator
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Potency-Directed Similarity Searching Using Support Vector Machines
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
A Branch-And-Bound Approach for Tautomer Enumeration
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
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