Citation Impact
Citing Papers
ENMD-2076 Is an Orally Active Kinase Inhibitor with Antiangiogenic and Antiproliferative Mechanisms of Action
2010
Augmenting large language models with chemistry tools
2024
Graph mining: procedure, application to drug discovery and recent advances
2012
Human serum albumin: From bench to bedside
2011
Crystal structures of drugs: advances in determination, prediction and engineering
2004
Cell cycle proteins as promising targets in cancer therapy
2017 Standout
Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations
2001
Albumin–drug interaction and its clinical implication
2013 Standout
Amorphous pharmaceutical solids: preparation, characterization and stabilization
2001 Standout
Impact of a five-dimensional framework on R&D productivity at AstraZeneca
2018
Designing antimicrobial peptides: form follows function
2011 Standout
Chemical predictive modelling to improve compound quality
2013
Organic reactivity from mechanism to machine learning
2021
Applications of machine learning in drug discovery and development
2019 Standout
New directions in library design and analysis
2008
Indoles as therapeutics of interest in medicinal chemistry: Bird's eye view
2017 Standout
Hybrid porous solids: past, present, future
2007 Standout
Pharmaceutical Cocrystals and Their Physicochemical Properties
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Searching Chemical Space with the Bayesian Idea Generator
2009
Computational prediction of organic crystal structures and polymorphism
2008
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
Crystal structure solution and prediction via global and local optimization
1999
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Computer Simulation of Liquids
2017 Standout
The emerging role of computational design in peptide macrocycle drug discovery
2020
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
Oxidative Coupling between Two Hydrocarbons: An Update of Recent C–H Functionalizations
2015 Standout
Racemic Compound FormationversusConglomerate Formation with [M(bpy)3](PF6)2 (M = Ni, Zn, Ru); Lattice Energy Minimisations and Implications for Structure Prediction
2000
Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.
2013
The General Utility Lattice Program (GULP )
2003 Standout
Oxadiazoles in Medicinal Chemistry
2011 Standout
Conceptual Density Functional Theory
2003 Standout
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
A comparison of condensed fukui function, free valency and unpaired spin population as reactivity indices for open-shell molecules
1996
Extended-Connectivity Fingerprints
2010 Standout
Computational design of mixed chirality peptide macrocycles with internal symmetry
2020 StandoutNobel
Do Structurally Similar Ligands Bind in a Similar Fashion?
2006
ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
2023 StandoutNobel
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
2021 StandoutNobel
Marine natural products
2018 Standout
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Variational Transition-State Theory with Optimized Orientation of the Dividing Surface and Semiclassical Tunneling Calculations for Deuterium and Muonium Kinetic Isotope Effects in the Free Radical Association Reaction H + C2H4→ C2H5
1999
Oxadiazole isomers: all bioisosteres are not created equal
2012
Assessing Atropisomer Axial Chirality in Drug Discovery and Development
2011 Standout
Halogen oxides: Radicals, sources and reservoirs in the laboratory and in the atmosphere
1995 StandoutNobel
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions
2000 StandoutNobel
Conformational Preferences of a Polar Biaryl: A Phase- and Enantiomeric Purity-Dependent Molecular Hinge
2009
Experimental Equilibrium Structures: Application of Molecular Dynamics Simulations to Vibrational Corrections for Gas Electron Diffraction
2009
Discovery of Novel Antiangiogenic Marine Natural Product Scaffolds
2016
Palladium-catalyzed oxidative C–H/C–H cross-couplings of thiazolo[5,4-d]pyrimidine with aromatic (hetero)cycles
2014
Crystallization and Polymorphism of Conformationally Flexible Molecules: Problems, Patterns, and Strategies
2000
Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): A Potent and Selective Inhibitor of ATR Protein Kinase with Monotherapy in Vivo Antitumor Activity
2013
A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle
2016 StandoutNobel
Works of David Buttar being referenced
A combined spectroscopic and crystallographic approach to probing drug–human serum albumin interactions
2010
Automated QSAR with a Hierarchy of Global and Local Models
2011
Discovery of imidazole vinyl pyrimidines as a novel class of kinase inhibitors which inhibit Tie-2 and are orally bioavailable
2008
Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor
2012
Novel thienopyrimidine and thiazolopyrimidine kinase inhibitors with activity against Tie-2 in vitro and in vivo
2009
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies
2020
Theoretical investigations of conformational aspects of polymorphism. Part 1: o-acetamidobenzamide
1998
Scaffold Hopping Using Clique Detection Applied to Reduced Graphs
2006
Abstract 3650: Discovery of the clinical candidate AZD9496: a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
2015
Solubility prediction from first principles: a density of states approach
2018
A theoretical investigation of conformational aspects of polymorphism. Part 2. Diarylamines
1999
Ab initio quantum chemistry study of the gas-phase reaction of CIO with HO2
1994
Anisotropic Repulsion Potentials for Cyanuric Chloride (C3N3Cl3) and Their Application to Modeling the Crystal Structures of Azaaromatic Chlorides
2001
Artificial intelligence and automation in computer aided synthesis planning
2020
Vibrational behaviour of the carbon–muonium bond in the muonated ethyl radical
1996