Kotli, M.; Piir, G.; Maran, U. Multi-task prediction of pesticide toxicity to pollinators with censored data and interpretable attributions on graph neural networks. Journal of Chemical Information and Modeling

572 compounds | Property honeybee_oral: Acute oral toxicity, Apis mellifera (modelled target, log molar LD50) i

ID	Name	honeybee_oral	Details
10.htm	Acequinocyl i	-0.04852811866186886	View
100.htm	Buprofezin i	-0.2371315802008299	View
1004.htm	Fenoxaprop-P i	-0.4679289284238015	View
101.htm	Butachlor i	-0.455803819876607	View
1010.htm	Benalaxyl-M i	-0.46327549156115916	View
1011.htm	Pethoxamid i	-0.13611784289647613	View
102.htm	Butocarboxim i	-2.2459073016276765	View
1021.htm	Cinmethylin i	-0.09373678456233929	View
1024.htm	(1RS,3RS)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid i	-0.1516538200819346	View
1025.htm	Hydroprene i	-3.3732247295944737	View
1026.htm	Imibenconazole i	-0.5036599666152793	View
1027.htm	S-metolachlor i	-0.48823541509165935	View
1028.htm	Profoxydim i	-0.336229516779083	View
104.htm	Butralin i	-0.4571079942694796	View
1046.htm	Dodemorph acetate i	-0.3647371438079027	View
106.htm	Cadusafos i	-2.0770956891515215	View
1061.htm	Bromoxynil-heptanoate i	-0.2696174801389658	View
1062.htm	Glyphosate-trimesium i	0.39520714132126455	View
1063.htm	Ioxynil octanoate i	-2.166657292000425	View
1064.htm	Nitrothal-isopropyl i	-0.4442790642768467	View
1065.htm	Thiocyclam i	-1.1519568899820944	View
1066.htm	Haloxyfop i	-0.5448242987597279	View
1067.htm	Haloxyfop-etotyl i	-0.61768166971834	View
1068.htm	Haloxyfop-P-methyl i	-0.5594517535656185	View
108.htm	Calcium carbonate i	0.7494062741052422	View
1085.htm	Iminoctadine triacetate i	-0.49727528635799534	View
1093.htm	Quizalofop i	-0.5206669064729443	View
1096.htm	Sodium 5-nitroguaiacolate i	-0.09047353873826859	View
1097.htm	Sodium o-nitrophenolate i	-0.03566465178433703	View
1098.htm	Sodium p-nitrophenolate i	-0.3405801872344604	View
11.htm	Acetamiprid i	-1.1632295242662427	View
1111.htm	Monocrotophos i	-4.019220176222452	View
1117.htm	Halosulfuron-methyl i	-0.6229493168242638	View
1118.htm	Tembotrione i	-0.660524058739443	View
1119.htm	Spirotetramat i	-0.5087524300735843	View
112.htm	Camphechlor i	-1.3250253821625868	View
1120.htm	Fluroxypyr-meptyl i	-0.5391639529515666	View
1124.htm	MCPA-thioethyl i	-0.36479480717410984	View
1132.htm	Flubendiamide i	-0.5186586805830776	View
1133.htm	Pyroxsulam i	-0.5935562513489772	View
1135.htm	Orthosulfamuron i	-0.5676756773166497	View
1136.htm	Chromafenozide i	-0.4369072584223103	View
1137.htm	Amisulbrom i	-0.6563090664561143	View
1138.htm	Chlorantraniliprole i	-0.6537498923469233	View
1139.htm	Pyridalyl i	-0.6785092742385559	View
114.htm	Captan i	-0.46615556475220987	View
1140.htm	Ipconazole i	-0.49088510945359554	View
1143.htm	Cyflumetofen i	-0.5621389775540544	View
1144.htm	Spinetoram i	-3.6853770083852586	View
1146.htm	Ethametsulfuron-methyl i	-0.9826167867049966	View
1147.htm	Cyclosulfamuron i	-0.6089040425504045	View
115.htm	Carbaryl i	-2.9568313534651067	View
1151.htm	Trifloxysulfuron-sodium i	-1.2286672189323613	View
1158.htm	Dimethametryn i	-0.36964251840525925	View
1159.htm	Amicarbazone i	-0.9592564912381604	View
116.htm	Carbendazim i	-0.26035764163615216	View
1168.htm	Benzobicyclon i	-0.33022093626404964	View
117.htm	Carbetamide i	-0.5418444706360306	View
118.htm	Carbofuran i	-3.7343576066437607	View
1185.htm	XMC i	-3.345334514839896	View
12.htm	Acetochlor i	-0.39724458101038634	View
1209.htm	Thifluzamide i	-1.0101169662208889	View
121.htm	Carbosulfan i	-2.524907666003082	View
1210.htm	Penthiopyrad i	0.16843734658696408	View
1215.htm	Diclomezine i	-0.392749698374226	View
1216.htm	Diflumetorim i	-1.4936392596786623	View
122.htm	Carboxin i	-0.3467440546048488	View
123.htm	Carfentrazone-ethyl i	-0.6914853397960561	View
1234.htm	Lithium perfluorooctane sulfonate i	-3.0961710841211567	View
1241.htm	Thiencarbazone-methyl i	-0.27668114191015764	View
1247.htm	T-oxanilic acid i	-0.2598846230080659	View
1248.htm	T-sulfonic acid i	-0.4904916742087333	View
1249.htm	T-sulfinylacetic acid i	-0.5408592921125099	View
1250.htm	Bixafen i	-0.6043448736272002	View
1288.htm	Diclobutrazol i	-3.791100899236972	View
13.htm	Acibenzolar-S-methyl i	-0.20293083214832555	View
1327.htm	Pelargonic acid i	-0.05969147134217076	View
1330.htm	1-naphthylacetic acid i	-0.16662743073986333	View
1354.htm	8-hydroxyquinoline i	-0.3038695628718796	View
1355.htm	Noviflumuron i	-0.7177453749069219	View
1362.htm	Fluopyram i	-0.576295178675418	View
138.htm	Chlorfenvinphos i	-2.798009935495912	View
1380.htm	Propisochlor i	-0.3723313620192947	View
139.htm	Chlorfluazuron i	-0.7255686328180352	View
141.htm	Chloridazon i	-0.028530586511328743	View
1416.htm	Clodinafop i	-0.5062493853631111	View
143.htm	Chlormequat chloride i	-0.13527941067757293	View
1444.htm	Thiacloprid-amide i	-0.38057935880557314	View
1449.htm	Isopyrazam i	-0.24265717636168055	View
1478.htm	Ferric phosphate i	0.06341125441963949	View
1498.htm	Metamifop i	-0.6260322478290189	View
15.htm	Aclonifen i	-0.3781600802918527	View
150.htm	Chlorothalonil i	-0.6253777878779854	View
151.htm	Chlorotoluron i	-0.2996611798443982	View
153.htm	Chlorpropham i	0.3988870284349303	View
1531.htm	Heptamaloxyloglucan i	-1.0036328370044083	View
154.htm	Chlorpyrifos i	-3.354735727193295	View
1541.htm	Diquat i	-1.1219384463228053	View
1548.htm	Fosetyl i	0.20204878990228536	View
155.htm	Chlorpyrifos-methyl i	-3.2509847994245784	View
1552.htm	Bensulfuron i	-0.8691175248677316	View
1553.htm	Flupyrsulfuron i	-1.1656004025174114	View
1554.htm	Iodosulfuron i	-0.7791905031381907	View
1555.htm	Metsulfuron i	-0.9029061326964285	View
1556.htm	Tribenuron i	-0.5707943926387582	View
1559.htm	Propoxycarbazone i	-0.07628996080582619	View
156.htm	Chlorsulfuron i	-0.4247434642976643	View
157.htm	Chlorthal-dimethyl i	-0.5130843604651442	View
1578.htm	Flufenpyr-ethyl i	-1.1993492073685406	View
1583.htm	Oxabetrinil i	-1.0416689664756102	View
159.htm	Chlozolinate i	-0.5065591467257824	View
1599.htm	Kelevan i	0.2057420579148842	View
16.htm	Acrinathrin i	-3.829738058997461	View
162.htm	Cinidon-ethyl i	-0.27542653674163897	View
1624.htm	Potassium bicarbonate i	-0.39801238505449044	View
163.htm	Cinosulfuron i	-0.5957937328679823	View
164.htm	Clethodim i	-0.8898877510752061	View
1648.htm	Ametoctradin i	-0.3510124379732217	View
165.htm	Clodinafop propargyl i	-0.5101194777892837	View
1652.htm	Bicyclopyrone i	0.3156692563297178	View
1655.htm	Penflufen i	-0.432951517172481	View
1659.htm	Valifenalate i	-0.5423886178685472	View
166.htm	Clofencet i	-0.42748610909578555	View
1662.htm	Cyantraniliprole i	-3.639127560382536	View
1665.htm	Sedaxane i	-1.8923868179534222	View
1669.htm	Sulfoxaflor i	-3.262483598019071	View
167.htm	Clofentezine i	-0.06750642856703001	View
1671.htm	Gibberellins i	-0.5492992902151864	View
168.htm	Clomazone i	-0.4706053299391329	View
1685.htm	Cyenopyrafen i	-0.5590323710924758	View
169.htm	Clopyralid i	-0.27639286306953503	View
170.htm	Cloquintocet-mexyl i	-0.49643144518420007	View
171.htm	Clothianidin i	-4.781090862568212	View
1719.htm	Prohexadione i	-0.3012470886362114	View
1729.htm	1-naphthylacetamide i	-0.09879713894729614	View
186.htm	Cyazofamid i	-0.31273728817446617	View
187.htm	Cyclanilide i	-0.4714556143261227	View
189.htm	Cycloxydim i	-0.46725949941963485	View
19.htm	Aldicarb i	-3.041787318971752	View
191.htm	Cyflufenamid i	-0.5968389138251573	View
192.htm	Cyfluthrin i	-3.9202590221149505	View
193.htm	Cyhalofop-butyl i	-0.5279004451947662	View
194.htm	Cyhalothrin i	-4.202801024029809	View
1953.htm	5-decenyl acetate i	-0.31638975107319545	View
1954.htm	(E)-dodec-8-enyl acetate i	-0.37191496973450094	View
196.htm	Cymoxanil i	-0.34346285225835127	View
197.htm	Cypermethrin i	-3.3634042488753786	View
198.htm	Cyproconazole i	-0.43716371044650393	View
199.htm	Cyprodinil i	-0.27141820178389475	View
200.htm	Cyromazine i	0.07605440160870526	View
2002.htm	Fluxapyroxad i	-0.52234190916789	View
2010.htm	Fenpyrazamine i	-0.49173978568949706	View
202.htm	Daminozide i	0.1305335899191334	View
203.htm	Dazomet i	-1.1824431859572413	View
205.htm	Deltamethrin i	-3.841565036722006	View
206.htm	Demeton-S-methyl i	-3.054028118910086	View
207.htm	Desmedipham i	-0.4509955292006122	View
208.htm	Desmetryn i	-0.002637423987663553	View
21.htm	Aldrin i	-3.0083811445326454	View
210.htm	Diafenthiuron i	-2.2247180025577387	View
2118.htm	(Z)-dodec-8-enyl acetate i	-2.371914969734501	View
212.htm	Diazinon i	-3.4978200679810985	View
213.htm	Dicamba i	-0.3805750232338422	View
2172.htm	Benthiavalicarb-isopropyl i	-0.5530087057273627	View
219.htm	Dichlorprop-P i	-0.05497672919221898	View
220.htm	Dichlorvos i	-2.8678330898203237	View
221.htm	Diclofop-methyl i	-0.39735613675557613	View
222.htm	Dicloran i	-0.2543748046882045	View
223.htm	Dicofol i	-1.557976131055834	View
224.htm	Dicrotophos i	-3.512001252980296	View
228.htm	Diethofencarb i	-0.39119984010877445	View
230.htm	Difenoconazole i	-0.3421102868948155	View
234.htm	Diflubenzuron i	-1.5204043443223398	View
235.htm	Diflufenican i	-0.552432552258401	View
2379.htm	Maltodextrin i	0.07556563645676934	View
239.htm	Dimethachlor i	0.10129309718244897	View
2395.htm	Glyphosate-isopropylamine i	-0.1898195107079175	View
2396.htm	Glyphosate-monopotassium i	-0.1898195107079175	View
2398.htm	Triclopyr-butotyl i	-0.490711676292948	View
24.htm	Alpha-cypermethrin i	-3.828080684140783	View
241.htm	Dimethenamid-P i	-0.3376784444101925	View
242.htm	Dimethipin i	-0.49055979247459935	View
244.htm	Dimethoate i	-3.336799831348111	View
245.htm	Dimethomorph i	-1.0525443215591244	View
246.htm	Dimoxystrobin i	-0.5833529836654177	View
2460.htm	Pyriofenone i	-0.5386239964632282	View
250.htm	Dinocap i	-1.725554335292663	View
2511.htm	Orange oil i	-0.07954300740290603	View
2525.htm	N-(methyl(oxido)(1-(6-trifluoromethyl)pyridine-3-yl)ethyl)-Lambda-4-sulfanylidene)urea i	-0.4520932490177314	View
2526.htm	5-(1-methyanesulfonyl-ethyl)-2-trifluoromethyl-pyridine i	-0.4259151564576806	View
2527.htm	5-(1-(S-methylsulfonimidoyl)ethyl)-2-(trifluoromethyl)pyridine i	-0.7224250907541113	View
2531.htm	Pyrethrins (cinerin I) i	-3.4596939764779706	View
2534.htm	Pyrethrins (cinerin II) i	-4.178990020380026	View
2555.htm	Silafluofen i	-2.8800586355282505	View
2567.htm	Diofenolan i	-0.46516589791146595	View
257.htm	Disulfoton i	-1.7941989081812257	View
258.htm	Dithianon i	-1.0609950987374983	View
260.htm	Diuron i	-0.4100548542374758	View
2601.htm	Verbutin i	-0.3347351471318334	View
2608.htm	Flutianil i	-0.31423600323516854	View
261.htm	DNOC i	0.02612541088206869	View
2618.htm	Oxathiapiprolin i	-1.1089190773864246	View
262.htm	Dodemorph i	-0.3647371438079027	View
2620.htm	Flupyradifurone i	-2.364222570839501	View
2621.htm	Benzovindiflupyr i	-0.5458969902161382	View
2623.htm	Momfluorothrin i	-1.8578546276817585	View
2628.htm	Mandestrobin i	-0.41854978722299424	View
263.htm	Dodine i	0.004014002086200665	View
2630.htm	Halauxifen i	-0.4744995480049803	View
2631.htm	Halauxifen-methyl i	-0.49040072129073836	View
2632.htm	Cyclaniliprole i	-2.94758223417585	View
2636.htm	Afidopyropen i	-0.7437762174928865	View
264.htm	Endosulfan i	-1.4098681237828827	View
2656.htm	(Z)-3-(2-chloro-3,3,3-trifluoro-propenyl)-2,2-dimethylcyclo-propane carboxylic acid i	-0.14901372391572618	View
2666.htm	Napropamide-M i	-0.35685990302565723	View
2668.htm	Triflumezopyrim i	-2.8781611980902224	View
267.htm	Epoxiconazole i	-0.5815013999872637	View
268.htm	EPTC i	-1.1894903136993675	View
269.htm	Esfenvalerate i	-3.277347216267699	View
2692.htm	2-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-3,8-dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile i	-4.7279134451010485	View
27.htm	Ametryn i	-0.3226533722132379	View
271.htm	Ethalfluralin i	-0.46301076397755586	View
274.htm	Ethephon i	-0.07493566526005234	View
277.htm	Ethirimol i	-2.0749535069180194	View
278.htm	Ethofumesate i	-0.7294887691795613	View
2781.htm	Isofetamid i	-1.0469891387754737	View
279.htm	Ethoprophos i	-1.739080322966351	View
28.htm	Amidosulfuron i	-0.5111239976370423	View
281.htm	Ethoxysulfuron i	0.4199193561369927	View
283.htm	Etofenprox i	-2.9784100397015907	View
284.htm	Etoxazole i	-0.2255935481547996	View
287.htm	Famoxadone i	-2.5517426821231664	View
2873.htm	Sodium hydrogen carbonate i	0.9520740353310532	View
289.htm	Fenamidone i	-0.49886434550716785	View
29.htm	Aminopyralid i	-1.8119089106251758	View
290.htm	Fenamiphos i	-2.795771912819458	View
2908.htm	Furalaxyl-M i	-1.7515562247937042	View
2909.htm	5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid i	-0.21071848934715412	View
291.htm	Fenarimol i	-1.5039131939996202	View
292.htm	Fenazaquin i	-1.8211973429268762	View
2920.htm	Triafamone i	-0.8480345323577456	View
293.htm	Fenbuconazole i	-1.7887121229110892	View
2933.htm	Formetanate hydrochloride i	-3.1100422890540598	View
2935.htm	Thiophanate i	-0.5469372972916577	View
298.htm	Fenhexamid i	-0.4460229305692112	View
299.htm	Fenitrothion i	-3.1224452562819556	View
303.htm	Fenoxaprop-P-ethyl i	-0.49920987728709115	View
3030.htm	Carfentrazone i	-0.27191127385989566	View
304.htm	Fenoxycarb i	-0.14089606170382435	View
305.htm	Fenpiclonil i	-1.6646983737747494	View
3067.htm	Bromoxynil-butanoate i	-0.6457205379420095	View
307.htm	Fenpropidin i	-1.3841741388070334	View
3073.htm	Fenpicoxamid i	-0.27922859822004176	View
3074.htm	3-hydroxy-4-methoxypyridine-2-carboxylic acid i	-1.0574410836331487	View
3075.htm	(3S,6S,7R,8R)-8-benzyl-3-(((3-hydroxy-4-methoxypyridin-2-yl)carbonyl)amino)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate i	-0.6769223497335006	View
308.htm	Fenpropimorph i	-0.4512435251873197	View
3086.htm	Pydiflumetofen i	-0.6133554779791122	View
309.htm	Fenpyroximate i	-0.5220753825218596	View
3091.htm	Broflanilide i	-4.63626718257371	View
3097.htm	Florpyrauxifen-benzyl i	-0.6056709261896744	View
3098.htm	Mefentrifluconazole i	-0.5828130671704281	View
31.htm	Amitrole i	0.2784280021756862	View
3116.htm	Dichlorprop-P-etexyl i	-0.2586327122177818	View
3140.htm	P,P'-DDT i	-1.8307395832837972	View
3143.htm	Mefenpyr diethyl i	0.4162847754736765	View
3156.htm	Ferric pyrophosphate i	-0.2403994657386411	View
316.htm	Fipronil i	-5.0164822104537	View
3174.htm	Epsilon-momfluorothrin i	-1.8578546276817585	View
3180.htm	Isoflucypram i	-0.5517276351300198	View
319.htm	Flazasulfuron i	-0.5968718786042466	View
3198.htm	Metyltetraprole i	-0.5408204351900944	View
3204.htm	Fluopimomide i	-1.0550171186927935	View
321.htm	Flonicamid i	-0.34853850125799346	View
3210.htm	Chlormequat i	-0.13527941067757293	View
322.htm	Florasulam i	-0.5456039684814168	View
3237.htm	Dinocap 6 i	-1.7099453699148341	View
3238.htm	ACC i	0.4321583070899786	View
324.htm	Fluazifop-P-butyl i	-0.2591158441850662	View
3249.htm	Fluindapyr i	-1.0042295969593054	View
325.htm	Fluazinam i	-0.663766865315666	View
3251.htm	DNOC sodium i	0.02612541088206869	View
3252.htm	DNOC ammonium i	0.02612541088206869	View
3253.htm	DNOC potassium i	0.02612541088206869	View
3262.htm	Benzpyrimoxan i	-0.5121238267229445	View
3282.htm	Trifludimoxazin i	-0.603436691950435	View
3285.htm	Bixlozone i	-0.416690423375564	View
3290.htm	Flupyrimin i	-0.7623104455424736	View
330.htm	Fludioxonil i	-0.3840665380759458	View
331.htm	Flufenacet i	-0.5443657442238564	View
3311.htm	Glyphosate-sesquisodium i	-0.1898195107079175	View
3312.htm	Glyphosate-diammonium i	-0.1898195107079175	View
3313.htm	Glyphosate-dimethylammonium i	-0.1898195107079175	View
3314.htm	Glyphosate-monoammonium i	-0.1898195107079175	View
3319.htm	Thiencarbazone i	-0.26259417332678286	View
332.htm	Flufenoxuron i	-0.6413123075853816	View
3326.htm	Mecoprop-P etexyl i	-0.17555529861775065	View
3327.htm	Mecoprop etexyl i	-0.17555529861775065	View
333.htm	Diflovidazin i	-1.0757366956809902	View
3338.htm	Picloram-etexyl i	-0.655177385571381	View
3339.htm	Picloram-isoctyl i	-0.655177385571381	View
3340.htm	Picloram-methyl i	-0.5294719753821027	View
3344.htm	Picloram-tripromine i	-0.3614725938815928	View
335.htm	Flumioxazin i	-0.1704435576995323	View
336.htm	Fluometuron i	-0.8131491086518493	View
3360.htm	Haloxyfop-sodium i	-0.5448242987597279	View
337.htm	Fluopicolide i	-0.19260446437648057	View
340.htm	Fluoxastrobin i	0.27971805264589444	View
341.htm	Flupyrsulfuron-methyl-sodium i	-1.177315208276398	View
342.htm	Fluquinconazole i	-0.5659776155608442	View
345.htm	Fluridone i	0.06132041621859481	View
346.htm	Flurochloridone i	-0.45515412254295173	View
3463.htm	Beflubutamid-M i	-0.2351356676258116	View
347.htm	Fluroxypyr i	-0.8285487269302707	View
348.htm	Flurprimidol i	-0.4730049642672709	View
3481.htm	Pyrimidifen i	-2.737490819497709	View
349.htm	Flurtamone i	-0.48244656072047143	View
350.htm	Flusilazole i	-0.9486097069166932	View
351.htm	Flusulfamide i	-1.079308960938092	View
352.htm	Flutolanil i	-0.1678704869932582	View
3524.htm	Glyphosate-sodium i	-0.1898195107079175	View
353.htm	Flutriafol i	-2.1586489113477616	View
354.htm	Folpet i	-0.0932435617821033	View
355.htm	Fomesafen i	-0.9331733485576968	View
357.htm	Foramsulfuron i	-0.5939979165619	View
358.htm	Forchlorfenuron i	-0.4695113945040653	View
360.htm	Formetanate i	-3.1100422890540598	View
363.htm	Fosetyl-aluminium i	0.022634680039135793	View
364.htm	Fosthiazate i	-2.6382600605249116	View
365.htm	Fuberidazole i	0.026472509304760368	View
366.htm	Furalaxyl i	-1.7515562247937042	View
369.htm	Gamma-cyhalothrin i	-2.0109154977908963	View
370.htm	Lindane i	-4.413086299106739	View
371.htm	Gibberellic acid i	-0.45389476308780696	View
372.htm	Glufosinate-ammonium i	0.5501874589167837	View
373.htm	Glyphosate i	-0.1898195107079175	View
374.htm	Guazatine i	-0.7264232747158511	View
377.htm	Haloxyfop-P i	-0.5448242987597279	View
382.htm	Hexaconazole i	-0.4728587962254014	View
383.htm	Hexaflumuron i	-0.7067848851936355	View
385.htm	Hexythiazox i	-0.47154054164205134	View
388.htm	Hymexazol i	0.026641200113602326	View
39.htm	Anilazine i	-0.4321351577577126	View
390.htm	Imazalil i	-0.9065713858676799	View
391.htm	Imazamethabenz-methyl i	-0.42842638644058817	View
392.htm	Imazamox i	-0.8545792880149341	View
393.htm	Imazapyr i	-0.9932774745673644	View
394.htm	Imazaquin i	-1.6557293117486558	View
395.htm	Imazethapyr i	-1.0407180902431974	View
396.htm	Imazosulfuron i	-0.9826625481120589	View
397.htm	Imidacloprid i	-4.822008955042052	View
398.htm	Sumithrin i	-3.3067332136421346	View
399.htm	Indoxacarb i	-3.3426778729646403	View
4.htm	2,4-D i	-0.35927020495005557	View
401.htm	Iodosulfuron-methyl-sodium i	-0.7898978569176265	View
402.htm	Ioxynil i	-1.5613848040301632	View
403.htm	Iprodione i	-0.5011414552877826	View
404.htm	Iprovalicarb i	-0.16682713518857128	View
409.htm	Isoproturon i	0.015553471673602142	View
411.htm	Isoxaben i	-0.48883263438240043	View
412.htm	Isoxaflutole i	-0.3135021577390844	View
414.htm	Kresoxim-methyl i	-0.4272352211033403	View
415.htm	Lambda-cyhalothrin i	-2.675123395867703	View
417.htm	Lenacil i	-0.02046657892217282	View
418.htm	D-limonene i	-0.07954300740290603	View
419.htm	Linuron i	-0.32881045929025654	View
42.htm	Asulam sodium i	-0.25038844279017036	View
420.htm	Lufenuron i	-0.4071794587094117	View
421.htm	Malathion i	-2.8909935522436836	View
422.htm	Maleic hydrazide i	-0.033664963203176974	View
424.htm	Mancozeb i	-0.2689607038867696	View
425.htm	Mandipropamid i	-0.28968926565721403	View
426.htm	Maneb i	-0.35853035372908265	View
427.htm	MCPA i	0.018770512579999246	View
428.htm	MCPB i	-0.4208148712526648	View
43.htm	Atrazine i	-0.3044474408661749	View
430.htm	Mecoprop i	-0.30867110671541836	View
431.htm	Mecoprop-P i	-0.38959301433934446	View
435.htm	Mepanipyrim i	-0.6150005481333397	View
437.htm	Mepiquat chloride i	0.039423824189196995	View
438.htm	Mepronil i	-0.3982525881838823	View
439.htm	Meptyldinocap i	-0.5774917998372253	View
441.htm	Mesosulfuron-methyl i	-0.6597073682901494	View
442.htm	Mesotrione i	-1.4721178982271295	View
443.htm	Metaflumizone i	-2.304837903827353	View
444.htm	Metalaxyl i	0.017863327606559398	View
445.htm	Metalaxyl-M i	-0.42377611212749666	View
446.htm	Metaldehyde i	-0.26232902260584173	View
448.htm	Metamitron i	-0.29595152143936904	View
450.htm	Metazachlor i	-0.5591337437554711	View
451.htm	Metconazole i	-0.5442869611734794	View
453.htm	Methamidophos i	-2.7816574760574935	View
457.htm	Methiocarb i	-3.419522063196344	View
458.htm	Methomyl i	-2.735085380576781	View
459.htm	Methoprene i	-3.140177954380802	View
460.htm	Methoxychlor i	-1.8202145998157997	View
461.htm	Methoxyfenozide i	0.7692446259580143	View
463.htm	Metiram i	-0.4072634020530511	View
464.htm	Metobromuron i	-0.3185574308646566	View
465.htm	Metolachlor i	-0.37626165564772707	View
466.htm	Metosulam i	-0.5823206971964865	View
468.htm	Metrafenone i	-0.5320276009867132	View
469.htm	Metribuzin i	-0.41664701562145273	View
47.htm	Azafenidin i	-1.2109602554168117	View
470.htm	Metsulfuron-methyl i	-0.9173857648470302	View
473.htm	Molinate i	-1.1894903136993675	View
475.htm	Monolinuron i	0.16259926885768147	View
478.htm	Myclobutanil i	-0.9037940235916256	View
48.htm	Azamethiphos i	-3.497758718287268	View
481.htm	Napropamide i	-0.3982525881838823	View
484.htm	Nicosulfuron i	-1.8742648796442671	View
487.htm	Novaluron i	-0.6845222124965917	View
49.htm	Azimsulfuron i	-0.3099493842590159	View
490.htm	Ofurace i	-0.6608000771330427	View
492.htm	Omethoate i	-3.622170833221155	View
493.htm	Orbencarb i	-0.3703495747697271	View
494.htm	Oryzalin i	-1.0110282944332003	View
495.htm	Oxadiargyl i	-0.21361071528471218	View
496.htm	Oxadiazon i	-0.4712784329275639	View
497.htm	Oxadixyl i	-0.11421052824999299	View
498.htm	Oxamyl i	-2.7344418743096868	View
499.htm	Oxasulfuron i	-0.5891450209520843	View
5.htm	2,4-DB i	-0.3783979009481377	View
500.htm	Oxycarboxin i	-0.14749697134880485	View
501.htm	Oxydemeton-methyl i	-3.0629014773378556	View
502.htm	Oxyfluorfen i	-0.5448242987597279	View
504.htm	Paclobutrazol i	-2.1361337147825226	View
506.htm	Parathion-ethyl i	-3.1204955881945606	View
507.htm	Parathion-methyl i	0.47171764426124996	View
509.htm	Penconazole i	-1.3806311151883102	View
510.htm	Pencycuron i	-0.4946348052086982	View
511.htm	Pendimethalin i	-0.41338591587053913	View
512.htm	Penoxsulam i	-0.9005800339943326	View
515.htm	Permethrin i	-3.4555593047805764	View
516.htm	Phenmedipham i	-0.43323222727281296	View
519.htm	Phorate i	-2.752584393360803	View
520.htm	Phosalone i	-0.5387929743065153	View
521.htm	Phosmet i	-2.9164254926147883	View
522.htm	Phosphamidon i	-2.2836264559317274	View
525.htm	Picloram i	-0.577675807872012	View
526.htm	Picolinafen i	-0.26032187024631226	View
527.htm	Picoxystrobin i	-0.24451214537802712	View
528.htm	Pinoxaden i	-0.2651127598506873	View
530.htm	Pirimicarb i	-1.7406586984675823	View
532.htm	Pirimiphos-methyl i	-3.112696383856196	View
536.htm	Prochloraz i	-0.5526200347800785	View
537.htm	Procymidone i	-0.4362262752705825	View
539.htm	Prohexadione-calcium i	-0.3012470886362114	View
54.htm	Azoxystrobin i	-1.1889284837608534	View
543.htm	Propachlor i	-0.0012547736872422267	View
544.htm	Propamocarb hydrochloride i	-0.30131426209291795	View
545.htm	Propanil i	-0.34563459337372565	View
546.htm	Propaquizafop i	-1.3239736053508824	View
547.htm	Propargite i	-0.5108933783655281	View
551.htm	Propiconazole i	-0.511990251080793	View
552.htm	Propineb i	-0.3021354548518324	View
554.htm	Propoxycarbazone-sodium i	-0.07628996080582619	View
555.htm	Proquinazid i	-0.4533917357290257	View
556.htm	Propyzamide i	-0.3892192600250976	View
557.htm	Prosulfocarb i	-0.3476225108240362	View
558.htm	Prosulfuron i	-0.6055959152407835	View
559.htm	Prothioconazole i	-0.6661223160841021	View
562.htm	Pymetrozine i	-0.5169157983066608	View
564.htm	Pyraclostrobin i	-0.5264215223445267	View
565.htm	Pyraflufen-ethyl i	-0.5529567415669701	View
569.htm	Pyridaben i	-2.802780117098378	View
571.htm	Pyridate i	-0.5105181522436422	View
572.htm	Pyrifenox i	-0.6810264906913599	View
573.htm	Pyrimethanil i	-0.26986304055441107	View
574.htm	Pyriproxyfen i	-0.4803088308599395	View
575.htm	Pyroquilon i	-0.9088065994056742	View
576.htm	Quinalphos i	-3.6069645374061663	View
578.htm	Quinmerac i	-0.2941105094721155	View
579.htm	Quinoclamine i	-0.3044043496837311	View
58.htm	Beflubutamid i	-0.2281307660571532	View
580.htm	Quinoxyfen i	-0.47720810493131144	View
582.htm	Quizalofop-ethyl i	-1.551035024150877	View
583.htm	Quizalofop-P-ethyl i	-0.551035024150877	View
584.htm	Quizalofop-P-tefuryl i	-0.6103300590163426	View
585.htm	Resmethrin i	-3.6556116286535714	View
586.htm	Rimsulfuron i	-1.171742176712513	View
59.htm	Benalaxyl i	-1.1262003917125385	View
591.htm	Silthiofam i	-0.36738942453167694	View
593.htm	Sintofen i	-0.526610626653219	View
597.htm	Spirodiclofen i	-0.295578318998191	View
598.htm	Spiromesifen i	0.36717186170510535	View
599.htm	Spiroxamine i	-0.418616123556817	View
600.htm	Sulcotrione i	-0.800249547844784	View
603.htm	Sulfosulfuron i	-1.1783629406776444	View
608.htm	Tau-fluvalinate i	-1.5815306800439857	View
61.htm	Bendiocarb i	-2.606464048496272	View
610.htm	Tebuconazole i	-0.5364793876153179	View
611.htm	Tebufenozide i	-0.5108665907336366	View
612.htm	Tebufenpyrad i	-0.7105677973134442	View
613.htm	Tebutam i	-0.3225500597780139	View
616.htm	Teflubenzuron i	-0.7167682528551784	View
617.htm	Tefluthrin i	-2.3328894964844196	View
619.htm	Tepraloxydim i	-0.20089151893224297	View
62.htm	Benfluralin i	-0.4598608355223236	View
621.htm	Terbufos i	-1.8141663569352406	View
623.htm	Terbuthylazine i	-0.9754724765944975	View
624.htm	Terbutryn i	-2.260423312583374	View
626.htm	Tetraconazole i	-0.4436360255093388	View
627.htm	Tetradifon i	-1.5026629506010154	View
629.htm	Thiabendazole i	-1.6861892342440237	View
63.htm	Benfuracarb i	-2.2578956107409844	View
630.htm	Thiacloprid i	-1.1482363521923529	View
631.htm	Thiamethoxam i	-4.750739751235351	View
635.htm	Thifensulfuron-methyl i	-1.7219730810851832	View
636.htm	Thiobencarb i	-0.3831867994748993	View
637.htm	Thiodicarb i	-3.342100001201222	View
640.htm	Thiophanate-methyl i	-0.4567074648280724	View
642.htm	Thiram i	-0.3300487816421077	View
644.htm	Tolclofos-methyl i	-0.04018147177707189	View
645.htm	Tolylfluanid i	-0.22948823609547178	View
646.htm	Tralkoxydim i	-0.4121229691137779	View
648.htm	Triadimefon i	-1.045510741211503	View
649.htm	Triadimenol i	-0.09165444298651719	View
650.htm	Tri-allate i	-0.41291610836439907	View
651.htm	Triasulfuron i	-0.5862608986236786	View
652.htm	Triazamate i	-0.8529558024841247	View
654.htm	Triazoxide i	-0.030914411837731703	View
655.htm	Tribenuron-methyl i	-1.6187605071236684	View
657.htm	Trichlorfon i	-2.794766797940821	View
659.htm	Triclopyr i	-0.4021409672924676	View
660.htm	Tricyclazole i	-0.31358126514440043	View
661.htm	Tridemorph i	-0.11092624226642028	View
664.htm	Trifloxystrobin i	-0.2891651526498891	View
665.htm	Triflumizole i	-1.3732142214318062	View
666.htm	Triflumuron i	-0.1882438594053533	View
667.htm	Trifluralin i	-0.5040084564010464	View
668.htm	Triflusulfuron-methyl i	-0.675136504467994	View
669.htm	Triforine i	-0.6241170119291274	View
67.htm	Benoxacor i	-0.39623422878579995	View
672.htm	Trinexapac-ethyl i	-0.07212117145190827	View
673.htm	Triticonazole i	-0.5086924366155242	View
674.htm	Tritosulfuron i	-0.3387054443032551	View
68.htm	Bensulfuron-methyl i	-0.8826219764586201	View
680.htm	Vinclozolin i	-0.4425268020210387	View
682.htm	Zeta-cypermethrin i	-3.95548001929674	View
683.htm	Zineb i	-0.31035338904499465	View
684.htm	Ziram i	-0.03640073960072606	View
685.htm	Zoxamide i	-0.33851069910666015	View
686.htm	Topramezone i	-0.6817683395422982	View
687.htm	Fluacrypyrim i	-1.4315996131589304	View
71.htm	Bentazone i	-0.05726661269175381	View
72.htm	Benthiavalicarb i	-0.506843136339351	View
731.htm	3,5,6-trichloro-2-pyridinol i	-0.3862900609195886	View
74.htm	Beta-cyfluthrin i	-3.9202590221149505	View
746.htm	Bromoxynil-octanoate i	-0.5080854796769325	View
747.htm	Cyhalofop i	-0.8590932436628806	View
75.htm	Beta-cypermethrin i	-3.8999626914469085	View
753.htm	Thiocyclam oxalate i	-1.1555911746371885	View
76.htm	Bifenazate i	-0.29823351857161323	View
764.htm	Diclofop i	-0.3811081882953814	View
77.htm	Bifenox i	-0.2214794423288966	View
78.htm	Bifenthrin i	-3.6027976651019955	View
792.htm	4-hydroxyquinazoline i	-0.30986086044512556	View
80.htm	Bioallethrin i	-1.6055173785523575	View
802.htm	Fipronil sulfone i	-4.846192091097335	View
81.htm	Bioresmethrin i	-5.193430723726846	View
83.htm	Bispyribac-sodium i	-0.46693810687541376	View
84.htm	Bitertanol i	-0.47854714674966636	View
854.htm	6-chloronicotinic acid i	-0.15637549089555955	View
858.htm	Cafenstrole i	0.4837688048423314	View
86.htm	Boscalid i	-0.2998510927120133	View
883.htm	Mesosulfuron i	-1.924233121354753	View
9.htm	Acephate i	-2.8765441419082345	View
938.htm	Alpha-(1-chlorocyclopropyl)-alpha-o(2-chlorophenyl)methyl-1H-1,2,4-triazole-1-ethanol i	-0.4455091884506448	View
96.htm	Bromoxynil i	-1.4001338212546575	View
97.htm	Bromuconazole i	-0.5622452679325733	View
972.htm	Thifensulfuron i	-1.7078099853154616	View
99.htm	Bupirimate i	-0.16470966353987906	View

10967/277 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Multi-task prediction of pesticide toxicity to pollinators with censored data and interpretable attributions on graph neural networks. Journal of Chemical Information and Modeling

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