Predicting crystallisation propensity of small molecules

被引:0
作者
Wicker, J. [1 ]
Cooper, R. [1 ]
David, W. [2 ]
机构
[1] Univ Oxford, Chem Crystallog, Oxford, England
[2] ISIS Facil, Rutherford Appleton Lab, Chilton, England
来源
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2014年 / 70卷
关键词
crystallisation propensity; machine learning;
D O I
10.1107/S2053273314083715
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
MS112.P08
引用
收藏
页码:C1628 / C1628
页数:1
相关论文
共 50 条
  • [21] Predicting Risk Propensity Through Player Behavior in DOTA 2: A Cross-Sectional Study
    Lyu, Sihua
    Zhao, Nan
    Zhang, Yichuan
    Chen, Wenwen
    Zhou, Haiyan
    Zhu, Tingshao
    FRONTIERS IN PSYCHOLOGY, 2022, 13
  • [22] Predicting Fracture Propensity in Amorphous Alumina from Its Static Structure Using Machine Learning
    Du, Tao
    Liu, Han
    Tang, Longwen
    Sorensen, Soren S.
    Bauchy, Mathieu
    Smedskjaer, Morten M.
    ACS NANO, 2021, 15 (11) : 17705 - 17716
  • [23] The Molecular Industrial Revolution: Automated Synthesis of Small Molecules
    Trobe, Melanie
    Burke, Martin D.
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 57 (16) : 4192 - 4214
  • [24] Predicting Side Effect of Drug Molecules Using Recurrent Neural Networks
    Beaudoin, Collin
    Phalak, Koustubh
    Ghosh, Swaroop
    IEEE TRANSACTIONS ON EMERGING TOPICS IN COMPUTATIONAL INTELLIGENCE, 2024, : 1 - 6
  • [25] Kinome-Wide Profiling Prediction of Small Molecules
    Sorgenfrei, Frieda A.
    Fulle, Simone
    Merget, Benjamin
    CHEMMEDCHEM, 2018, 13 (06) : 495 - 499
  • [26] GlyinsRNA: a webserver for predicting glycosylation sites on small RNAs
    Cui, Chunmei
    Wu, Xiaobin
    Zhou, Yuan
    RNA BIOLOGY, 2021, 18 : 600 - 603
  • [27] Transformation of peptides to small molecules in medicinal chemistry: Challenges and opportunities
    Han, Zeyu
    Shen, Zekai
    Pei, Jiayue
    You, Qidong
    Zhang, Qiuyue
    Wang, Lei
    ACTA PHARMACEUTICA SINICA B, 2024, 14 (10) : 4243 - 4265
  • [28] NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules
    Sha, Congzhou M.
    Wang, Jian
    Dokholyan, Nikolay V.
    FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 9
  • [29] MLASM: Machine learning based prediction of anticancer small molecules
    Balaji, Priya Dharshini
    Selvam, Subathra
    Sohn, Honglae
    Madhavan, Thirumurthy
    MOLECULAR DIVERSITY, 2024, 28 (04) : 2153 - 2161
  • [30] Machine Learning guided early drug discovery of small molecules
    Pillai, Nikhil
    Dasgupta, Aparajita
    Sudsakorn, Sirimas
    Fretland, Jennifer
    Mavroudis, Panteleimon D.
    DRUG DISCOVERY TODAY, 2022, 27 (08) : 2209 - 2215