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Marc C. Nicklaus

National Cancer Institute

50H指数
227论文数
7.6K被引数
收录论文 85
发表时间
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SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding styleSLICE（SMARTS and Logic In ChEmistry）：利用先进的化学合成逻辑和现代编码风格快速生成分子
errJournal of Cheminformatics
IF5.7
err2025-12-09
err0
errOAAI
errStefi Nouleho Ilemo; Victorien Delannée; Olga Grushin; Philip Judson; Hitesh Patel; Marc C. Nicklaus; Nadya I. Tarasova
err分享
err收藏
Correction: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventoryCorrection: SAVI空间——合成可及虚拟库存十亿规模的组合编码
errScientific Data
IF6.9
err2025-07-31
err0
errOAAI
errMalte Korn; Philip Judson; Raphael Klein; Christian Lemmen; Marc C. Nicklaus; Matthias Rarey
err分享
err收藏
Tautomeric Conflicts in Forty Small-Molecule Databases
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-24
err1
PREAI
errDhaked, Devendra K.; Nicklaus, Marc C.
err分享
err收藏
What impact does tautomerism have on drug discovery and development?
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2024-07-16
err1
errOAAI
errDhaked, Devendra K.; Nicklaus, Marc C.
err分享
err收藏
Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-05-16
err0
errOAAI
errSong, Robert X.; Nicklaus, Marc C.; Tarasova, Nadya I.
err分享
err收藏
Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a non-druggable target, STAT3 N-terminal domain
errFRONTIERS IN ONCOLOGY
IF3.3
err2023-04-25
err7
errOAAI
errBonilla, Pedro Andrade; Hoop, Cody L.; Stefanisko, Karen; Tarasov, Sergey G.; Sinha, Sourav; Nicklaus, Marc C.; Tarasova, Nadya I.
err分享
err收藏
Special Issue on Reaction Informatics and Chemical Space
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-05-09
err8
PREAI
errRarey, Matthias; Nicklaus, Marc C.; Warr, Wendy
err分享
err收藏
Exploration of Ultralarge Compound Collections for Drug Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-04-14
err76
PREAI
errWarr, Wendy A.; Nicklaus, Marc C.; Nicolaou, Christos A.; Rarey, Matthias
err分享
err收藏
Selective Recognition of Carbohydrate Antigens by GermlineAntibodies Isolated from AID Knockout Mice
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-03-12
err4
errOAAI
errDeLaitsch, Andrew T.; Pridgen, Jacey R.; Tytla, Avery; Peach, Megan L.; Hu, Rayleen; Farnsworth, David W.; McMillan, Aislinn K.; Flanagan, Natalie; Temme, J. Sebastian; Nicklaus, Marc C.; Gildersleeve, Jeffrey C.
err分享
err收藏
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods使用多任务深度学习方法的共识对多物种急性毒性终点进行大规模建模
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-02-03
err48
errOAAI
errJain, Sankalp; Siramshetty, Vishal B.; Alves, Vinicius M.; Muratov, Eugene N.; Kleinstreuer, Nicole; Tropsha, Alexander; Nicklaus, Marc C.; Simeonov, Anton; Zakharov, Alexey, V
err分享
err收藏
ReactionCode: format for reaction searching, analysis, classification, transform, and encoding/decoding
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-12-03
err8
errOAAI
errDelannee, Victorien; Nicklaus, Marc C.
err分享
err收藏
Antiangiogenic Activity and in Silico Cereblon Binding Analysis of Novel Thalidomide Analogs
errMOLECULES
IF4.6
err2020-12-02
err15
errOAAI
errPeach, Megan L.; Beedie, Shaunna L.; Chau, Cindy H.; Collins, Matthew K.; Markolovic, Suzana; Luo, Weiming; Tweedie, David; Steinebach, Christian; Greig, Nigel H.; Guotschow, Michael; Vargesson, Neil; Nicklaus, Marc C.; Figg, William D.
err分享
err收藏
Adapting CHMTRN (CHeMistry TRaNslator) for a New Use
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-15
err7
errOAAI
errJudson, Philip N.; Ihlenfeldt, Wolf-Dietrich; Patel, Hitesh; Delannee, Victorien; Tarasova, Nadya; Nicklaus, Marc C.
err分享
err收藏
Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-02-11
err27
errOAAI
errDhaked, Devendra K.; Ihlenfeldt, Wolf-Dietrich; Patel, Hitesh; Delannee, Victorien; Nicklaus, Marc C.
err分享
err收藏
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-02-06
err22
errOAAI
errDhaked, Devendra K.; Guasch, Laura; Nicklaus, Marc C.
err分享
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(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds
errMOLECULES
IF4.6
err2019-12-25
err4
errOAAI
errStolbov, Leonid A.; Druzhilovskiy, Dmitry S.; Filimonov, Dmitry A.; Nicklaus, Marc C.; Poroikov, Vladimir V.
err分享
err收藏
The upcoming subatomic resolution revolution
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2019-10-01
err3
PREAI
errCachau, Raul E.; Zhu, Jianghai; Nicklaus, Marc C.
err分享
err收藏
Epigenetic re-wiring of breast cancer by pharmacological targeting of C-terminal binding protein
errCELL DEATH & DISEASE
IF9.6
err2019-09-18
err10
errOAAI
errByun, Jung S.; Park, Samson; Yi, Dae Ik; Shin, Jee-Hye; Hernandez, Sara Gil; Hewitt, Stephen M.; Nicklaus, Marc C.; Peach, Megan L.; Guasch, Laura; Tang, Binwu; Wakefield, Lalage M.; Yan, Tingfen; Caban, Ambar; Jones, Alana; Kabbout, Mohamed; Vohra, Nasreen; Napoles, Anna Maria; Singhal, Sandeep; Yancey, Ryan; De Siervi, Adriana; Gardner, Kevin
err分享
err收藏
Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-08-27
err14
errOAAI
errTarasova, Olga A.; Biziukova, Nadezhda Yu; Filimonov, Dmitry A.; Poroikov, Vladimir V.; Nicklaus, Marc C.
err分享
err收藏
How to Achieve Better Results Using Pass-Based Virtual Screening: Case Study for Kinase Inhibitors
errFRONTIERS IN CHEMISTRY
IF4.2
err2018-04-26
err28
errOAAI
errPogodin, Pavel V.; Lagunin, Alexey A.; Rudik, Anastasia V.; Filimonov, Dmitry A.; Druzhilovskiy, Dmitry S.; Nicklaus, Mark C.; Poroikov, Vladimir V.
err分享
err收藏

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