Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Privacy-aware community infrastructureResearch graph
References from Scaffold-tuner: a property-directed compound editing tool for scaffold-preserving structural optimization. Local targets link to admitted publications; unresolved targets remain external evidence.
The rise of fragment-based drug discovery
10.1038/nchem.217 · 2009 · External reference
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
10.1016/s0169-409x(00)00129-0 · 2001 · External reference
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
10.1021/jm020017n · 2002 · External reference
Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications
10.1021/acs.jmedchem.2c01787 · 2023 · External reference
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
10.1021/jm0605233 · 2006 · External reference
Matched Molecular Pair Analysis in drug discovery
10.1016/j.drudis.2013.03.003 · 2013 · External reference
Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
10.1021/ci900450m · 2010 · External reference
Reinvent 4: Modern AI-driven generative molecule design
10.1186/s13321-024-00812-5 · 2024 · External reference
A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning
10.1021/acs.jcim.9b00727 · 2019 · External reference
Scaffold-Constrained Molecular Generation
10.1021/acs.jcim.0c01015 · 2020 · External reference
r. Exploring Target-Selectivity Patterns of Molecular Scaffolds
10.1021/ml900024v · 2010 · External reference
The Properties of Known Drugs. 1. Molecular Frameworks
10.1021/jm9602928 · 1996 · External reference
CReM: chemically reasonable mutations framework for structure generation
10.1186/s13321-020-00431-w · 2020 · External reference
An open source chemical structure curation pipeline using RDKit
10.1186/s13321-020-00456-1 · 2020 · External reference
Fifteen years of ChEMBL and its role in cheminformatics and drug discovery
10.1186/s13321-025-00963-z · 2025 · External reference
Unresolved reference
External reference
Searchable database of frequent R-groups in medicinal chemistry and their preferred replacements
10.1016/j.dib.2021.107456 · 2021 · External reference
Hydrogen-Bond Donors in Drug Design
10.1021/acs.jmedchem.2c01147 · 2022 · External reference
What does the aromatic ring number mean for drug design?
10.1517/17460441.2014.932346 · 2014 · External reference
Systematic mapping of R-group space enables the generation of an R-group replacement system for medicinal chemistry
10.1016/j.ejmech.2021.113771 · 2021 · External reference
Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein–Ligand Complexes
10.1021/acs.jmedchem.5b00975 · 2015 · External reference
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
10.1021/jm901241e · 2009 · External reference
10.1021/ci100050t
10.1021/ci100050t · 2010 · External reference
Interpretation of Quantitative Structure–Activity Relationship Models: Past, Present, and Future
10.1021/acs.jcim.7b00274 · 2017 · External reference
