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William H. Green

William H. Green

D-Index & Metrics

Chemistry

D-Index
88
Citations
26367
World Ranking
2303
National Ranking
823

Overview

William H. Green is affiliated with MIT in the United States. Their research spans multiple areas within chemistry and computational sciences, focusing on both theoretical and applied aspects.

The scientist has contributed to a range of topics, including:

  • Computational Drug Discovery Methods
  • Machine Learning in Materials Science
  • Catalysis and Oxidation Reactions
  • Various Chemistry Research Topics
  • Advanced Chemical Physics Studies
  • Advanced Combustion Engine Technologies
  • Chemical Thermodynamics and Molecular Structure

Their work touches several subfields of study such as:

  • Materials Chemistry
  • Computational Theory and Mathematics
  • Molecular Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry

William H. Green has published extensively in scientific venues including:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Leading Edge
  • Journal of Chemical Information and Modeling
  • The Journal of Physical Chemistry A
  • International Journal of Chemical Kinetics

Frequent collaborators include:

  • Haoyang Wu
  • Yunsie Chung
  • Florence H. Vermeire
  • Lagnajit Pattanaik
  • Kevin Spiekermann

Recent papers authored or co-authored by William H. Green demonstrate a breadth of research interests:

  • Potential impact of the COVID-19 pandemic on HIV, tuberculosis, and malaria in low-income and middle-income countries: a modelling study (2020) published in The Lancet Global Health
  • Chemprop: A Machine Learning Package for Chemical Property Prediction (2023) published in Journal of Chemical Information and Modeling
  • Economic significance of biofilms: a multidisciplinary and cross-sectoral challenge (2022) published in npj Biofilms and Microbiomes
  • Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation (2021) published in Journal of Chemical Information and Modeling
  • Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis (2020) published in Journal of Medicinal Chemistry

Best Publications

  • A robotic platform for flow synthesis of organic compounds informed by AI planning

    Connor W. Coley;Dale A. Thomas;Justin A. M. Lummiss;Jonathan N. Jaworski

  • Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms ☆

    Connie W. Gao;Joshua W. Allen;William H. Green;Richard H. West

  • Machine Learning in Computer-Aided Synthesis Planning

    Connor W Coley;William H Green;Klavs F Jensen

  • A graph-convolutional neural network model for the prediction of chemical reactivity

    Connor W. Coley;Wengong Jin;Luke Rogers;Timothy F. Jamison

  • Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction

    Connor W. Coley;Regina Barzilay;William H. Green;Tommi S. Jaakkola

  • Detailed modeling of PAH and soot formation in a laminar premixed benzene/oxygen/argon low-pressure flame

    Henning Richter;Silvia Granata;Silvia Granata;William H. Green;Jack B. Howard

  • Using Machine Learning To Predict Suitable Conditions for Organic Reactions.

    Hanyu Gao;Thomas J. Struble;Connor W. Coley;Yuran Wang

  • Computer-Assisted Retrosynthesis Based on Molecular Similarity

    Connor W. Coley;Luke Rogers;William H. Green;Klavs F. Jensen

  • SCScore: Synthetic Complexity Learned from a Reaction Corpus.

    Connor W. Coley;Luke Rogers;William H. Green;Klavs F. Jensen

  • Comprehensive reaction mechanism for n-butanol pyrolysis and combustion

    Michael R. Harper;Kevin M. Van Geem;Steven P. Pyl;Guy B. Marin

  • Rate-Based Construction of Kinetic Models for Complex Systems

    Roberta G. Susnow;Anthony M. Dean;William H. Green;P. Peczak

  • High‐gradient magnetic separation of coated magnetic nanoparticles

    Geoffrey D. Moeser;Kaitlin A. Roach;William H. Green;T. Alan Hatton

  • Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions

    D. Wayne Blaylock;Teppei Ogura;William H. Green;Gregory J. O. Beran

  • Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors.

    Sandeep Sharma;Sumathy Raman;William H. Green

  • Role of O2 + QOOH in low-temperature ignition of propane. 1. Temperature and pressure dependent rate coefficients.

    C. Franklin Goldsmith;William H. Green;Stephen J. Klippenstein

  • Reactivity and stability investigation of supported molybdenum oxide catalysts for the hydrodeoxygenation (HDO) of m-cresol

    Manish Shetty;Karthick Murugappan;Teerawit Prasomsri;William H. Green

  • Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.

    Mengjie Liu;Alon Grinberg Dana;Alon Grinberg Dana;Matthew S. Johnson;Mark J. Goldman

  • Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms

    Binita Bhattacharjee;Douglas A. Schwer;Paul I. Barton;William H. Green

  • Database of Small Molecule Thermochemistry for Combustion

    C. Franklin Goldsmith;Gregory R. Magoon;William H. Green

  • Water-Based Magnetic Fluids as Extractants for Synthetic Organic Compounds

    Geoffrey D. Moeser;Kaitlin A. Roach;William H. Green;and Paul E. Laibinis

  • Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

    Thomas J. Struble;Juan C. Alvarez;Scott P. Brown;Milan Chytil

  • Dramatic Solvent Effects on the Absolute Rate Constants for Abstraction of the Hydroxylic Hydrogen Atom from tert-Butyl Hydroperoxide and Phenol by the Cumyloxyl Radical. The Role of Hydrogen Bonding

    David V. Avila;K. U. Ingold;J. Lusztyk;W. H. Green

Frequent Co-Authors

Kevin Van Geem
Kevin Van Geem Ghent University
Guy Marin
Guy Marin Ghent University
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Jefferson W. Tester
Jefferson W. Tester Cornell University
Hua Guo
Hua Guo University of New Mexico
Anthony M. Dean
Anthony M. Dean Colorado School of Mines
C. Bradley Moore
C. Bradley Moore University of California, Berkeley

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