دنبال کردن
Igor I. Baskin
Igor I. Baskin
Department of Materials Science and Engineering, Technion - Israel Institute of Technology
ایمیل تأیید شده در technion.ac.il - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
QSAR modeling: where have you been? Where are you going to?‏
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...‏
Journal of medicinal chemistry 57 (12), 4977-5010, 2014‏
20942014
QSAR without borders‏
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...‏
CHEMICAL SOCIETY REVIEWS 49 (11), 3716-3716, 2020‏
7632020
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information‏
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...‏
Journal of computer-aided molecular design 25, 533-554, 2011‏
6782011
Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?‏
A Varnek, I Baskin‏
Journal of chemical information and modeling 52 (6), 1413-1437, 2012‏
2912012
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set‏
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...‏
Journal of chemical information and modeling 50 (12), 2094-2111, 2010‏
2782010
A renaissance of neural networks in drug discovery‏
II Baskin, D Winkler, IV Tetko‏
Expert opinion on drug discovery 11 (8), 785-795, 2016‏
2752016
Chemoinformatics Approaches to Virtual Screening‏
W Zheng, SR Johnson, I Baskin‏
Royal Society of Chemistry, 2008‏
252*2008
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?‏
A Varnek, N Kireeva, IV Tetko, II Baskin, VP Solov'ev‏
Journal of chemical information and modeling 47 (3), 1111-1122, 2007‏
1822007
Generative topographic mapping (GTM): universal tool for data visualization, structure‐activity modeling and dataset comparison‏
N Kireeva, II Baskin, HA Gaspar, D Horvath, G Marcou, A Varnek‏
Molecular informatics 31 (3‐4), 301-312, 2012‏
1632012
De novo molecular design by combining deep autoencoder recurrent neural networks with generative topographic mapping‏
B Sattarov, II Baskin, D Horvath, G Marcou, EJ Bjerrum, A Varnek‏
Journal of chemical information and modeling 59 (3), 1182-1196, 2019‏
1612019
Chemoinformatics as a theoretical chemistry discipline‏
A Varnek, II Baskin‏
Molecular Informatics 30 (1), 20-32, 2011‏
1492011
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)‏
MI Skvortsova, II Baskin, OL Slovokhotova, VA Palyulin, NS Zefirov‏
Journal of Chemical Information and Computer Sciences 33 (4), 630-634, 1993‏
1441993
Neural Networks in Building QSAR Models‏
II Baskin, VA Palyulin, NS Zefirov‏
David J. Livingstone Methods in Molecular Biology™ Artificial Neural …, 2008‏
129*2008
A neural device for searching direct correlations between structures and properties of chemical compounds‏
II Baskin, VA Palyulin, NS Zefirov‏
Journal of chemical information and computer sciences 37 (4), 715-721, 1997‏
1161997
Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge‏
HA Gaspar, II Baskin, G Marcou, D Horvath, A Varnek‏
Journal of chemical information and modeling 55 (1), 84-94, 2015‏
1142015
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients‏
A Varnek, C Gaudin, G Marcou, I Baskin, AK Pandey, IV Tetko‏
Journal of chemical information and modeling 49 (1), 133-144, 2009‏
1072009
On the basis of invariants of labeled molecular graphs‏
II Baskin, MI Skvortsova, IV Stankevich, NS Zefirov‏
Journal of chemical information and computer sciences 35 (3), 527-531, 1995‏
921995
Neural networks as a method for elucidating structure–property relationships for organic compounds‏
NM Halberstam, II Baskin, VA Palyulin, NS Zefirov‏
Russian chemical reviews 72 (7), 629-649, 2003‏
87*2003
Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening‏
I Baskin, A Varnek‏
Chemoinformatics Approaches to Virtual Screening, 1-43, 2008‏
832008
Prediction of physical properties of organic compounds using artificial neural networks within the substructure approach‏
NV Artemenko, II Baskin, VA Palyulin, NS Zefirov‏
Doklady Chemistry 381, 317-320, 2001‏
82*2001
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20