David L. Van Vranken - Publications, H-index & Citations

David L. Van Vranken

University of California

35H指数

129论文数

7.2K被引数

收录论文 25

发表时间

A Dataset of Plausible Proton Transfer Steps for Arrow-Pushing Mechanisms 箭式推动机理中可能质子转移步骤的数据集

Scientific Data

IF6.9

2026-01-10

OAAI

Alexander E. Dashuta; Ryan J. Miller; Pierre Baldi; Thomas Sander; David L. Van Vranken

Mechanism-Aware Deep Learning for Polar Reaction Prediction 基于机制感知的深度学习用于极性反应预测

Journal of the American Chemical Society

IF15.6

2025-10-22

OAAI

Ryan J. Miller; Alexander E. Dashuta; Brayden Rudisill; David Van Vranken; Pierre Baldi

[2,3] Sigmatropic Rearrangement of Allylic S-Acylsulfonium Ylide Intermediates Generated from Rhodium-Catalyzed Addition of Diazo Compounds [2,3] 顺旋重排：由铑催化的重氮化合物加成生成的烯丙基硫鎓叶立德中间体

ORGANIC LETTERS

IF5

2025-04-07

PREAI

Cribbs, Chad; Combs, Jason R.; Gevirtzman, Viktor; O'Malley, Clarissa; Van Vranken, David L.

Chemically Informed Deep Learning for Interpretable Radical Reaction Prediction

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-01-28

OAAI

Tavakoli, Mohammadamin; Chiu, Yin Ting T.; Carlton, Ann Marie; Van Vranken, David; Baldi, Pierre

PMechDB: A Public Database of Elementary Polar Reaction Steps

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-03-14

OAAI

Tavakoli, Mohammadamin; Miller, Ryan J.; Angel, Mirana Claire; Pfeiffer, Michael A.; Gutman, Eugene S.; Mood, Aaron D.; Van Vranken, David; Baldi, Pierre

Rhodium(II)-Catalyzed Hinsberg Dearomatization Using Trimethylsilyldiazomethane

ORGANIC LETTERS

IF5

2023-11-03

PREAI

Combs, Jason R.; Carter, David S.; Gu, Fengyi; Jin, Xiaokang; Martin, Connor M.; Resendiz, Elizabeth S.; Van Vranken, David L.

RMechDB: A Public Database of Elementary Radical Reaction Steps

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-02-17

OAAI

Tavakoli, Mohammadamin; Chiu, Yin Ting T.; Baldi, Pierre; Carlton, Ann Marie; Van Vranken, David

Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-01-12

OAAI

Tavakoli, Mohammadamin; Mood, Aaron; Van Vranken, David; Baldi, Pierre

Tandem Insertion/[3,3]-Sigmatropic Rearrangement Involving the Formation of Silyl Ketene Acetals by Insertion of Rhodium Carbenes into S-Si Bonds

ORGANIC LETTERS

IF5

2021-04-01

PREAI

Combs, Jason R.; Lai, Yin-Chu; Van Vranken, David L.

Methyl Cation Affinities of Canonical Organic Functional Groups

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2021-02-17

PREAI

Kadish, Dora; Mood, Aaron D.; Tavakoli, Mohammadamin; Gutman, Eugene S.; Baldi, Pierre; Van Vranken, David L.

Methyl Anion Affinities of the Canonical Organic Functional Groups

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2020-01-29

PREAI

Mood, Aaron; Tavakoli, Mohammadamin; Gutman, Eugene; Kadish, Dora; Baldi, Pierre; Van Vranken, David L.

Total Synthesis of (±)-Brazilin Using [4+1] Palladium-Catalyzed Carbenylative Annulation

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2019-10-22

PREAI

Arredondo, Vanessa; Roa, Daniel E.; Gutman, Eugene S.; Huynh, Nancy O.; Van Vranken, David L.

Deep learning for chemical reaction prediction 深度学习在化学反应预测中的应用

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2018-01-01

143

PREAI

Fooshee, David; Mood, Aaron; Gutman, Eugene; Tavakoli, Mohammadamin; Urban, Gregor; Liu, Frances; Huynh, Nancy; Van Vranken, David; Baldi, Pierre

Enantioselective Palladium-Catalyzed Carbene Insertion into the N-H Bonds of Aromatic Heterocycles

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2017-03-15

135

PREAI

Arredondo, Vanessa; Hiew, Stanley C.; Gutman, Eugene S.; Premachandra, Ilandari Dewage Udara Anulal; Van Vranken, David L.

Potent Antifungal Synergy of Phthalazinone and Isoquinolones with Azoles Against Candida albicans

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2017-01-18

OAAI

Mood, Aaron D.; Premachandra, Ilandari Dewage Udara Anulal; Hiew, Stanley; Wang, Fuqiang; Scott, Kevin A.; Oldenhuis, Nathan J.; Liu, Haoping; Van Vranken, David L.

Carbenylative Amination and Alkylation of Vinyl Iodides via Palladium Alkylidene Intermediates

ORGANIC LETTERS

IF5

2015-10-23

PREAI

Premachandra, Ilandari Dewage Udara Anulal; Nguyen, Thi A.; Shen, Chengtian; Gutman, Eugene S.; Van Vranken, David L.

Potent Synergy between Spirocyclic Pyrrolidinoindolinones and Fluconazole against Candida albicans

CHEMMEDCHEM

IF3.4

2015-08-12

OAAI

Premachandra, Ilandari Dewage Udara Anulal; Scott, Kevin A.; Shen, Chengtian; Wang, Fuqiang; Lane, Shelley; Liu, Haoping; Van Vranken, David L.