相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Voice-controlled quantum chemistry
Umberto Raucci et al.
NATURE COMPUTATIONAL SCIENCE (2021)
Machine Learning for Molecular Simulation
Frank Noé et al.
Annual Review of Physical Chemistry (2020)
Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction
Michael Withnall et al.
JOURNAL OF CHEMINFORMATICS (2020)
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations
Stefan Seritan et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
ChemSchematicResolver: A Toolkit to Decode 2D Chemical Diagrams with Labels and R-Groups into Annotated Chemical Named Entities
Edward J. Beard et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Molecular Structure Extraction from Documents Using Deep Learning
Joshua Staker et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
ImageNet Classification with Deep Convolutional Neural Networks
Alex Krizhevsky et al.
COMMUNICATIONS OF THE ACM (2017)
Convolutional Neural Networks for Medical Image Analysis: Full Training or Fine Tuning?
Nima Tajbakhsh et al.
IEEE TRANSACTIONS ON MEDICAL IMAGING (2016)
Perspective: Machine learning potentials for atomistic simulations
Joerg Behler
JOURNAL OF CHEMICAL PHYSICS (2016)
Advances in natural language processing
Julia Hirschberg et al.
SCIENCE (2015)
Markov Logic Networks for Optical Chemical Structure Recognition
Paolo Frasconi et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp et al.
PHYSICAL REVIEW LETTERS (2012)
Automated extraction of chemical structure information from digital raster images
Jungkap Park et al.
CHEMISTRY CENTRAL JOURNAL (2009)
Optical Structure Recognition Software To Recover Chemical Information: OSRA, An Open Source Solution
Igor V. Filippov et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
CLiDE Pro: The Latest Generation of CLiDE, a Tool for Optical Chemical Structure Recognition
Aniko T. Valko et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
Lorenz C. Blum et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
A cheminformatic toolkit for mining biomedical knowledge
Gus R. Rosania et al.
PHARMACEUTICAL RESEARCH (2007)
Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: Assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery
Tobias Fink et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Virtual exploration of the small-molecule chemical universe below 160 daltons
T Fink et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Chemical machine vision: Automated extraction of chemical metadata from raster images
GV Gkoutos et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
On-line and off-line handwriting recognition: A comprehensive survey
R Plamondon et al.
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE (2000)
分享论文
